Chemical Compound

(3S)-3-(((2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene)amino)-4-hydroxy-4-(((1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-3,6,9,12,18,21,24,27,30,33,36,39,42,45,51,57,63,71-octadecahydroxy-55-((1R)-1-hydroxyethyl)-65-(C-hydroxy-N-((2S)-1-hydroxy-1-iminopropan-2-yl)carbonimidoyl)-7-(2-methylsulfanylethyl)-15,48,54-trioxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo(32.28.7.719,58.010,14.043,47.049,53)hexaheptaconta-2,5,8,17,20,23,26,29,32,35,38,41,56,63,70-pentadecaen-72-yl)imino)butanoic acid

CAS Registry Number 140678-12-2
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(3S)-3-(((2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene)amino)-4-hydroxy-4-(((1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-3,6,9,12,18,21,24,27,30,33,36,39,42,45,51,57,63,71-octadecahydroxy-55-((1R)-1-hydroxyethyl)-65-(C-hydroxy-N-((2S)-1-hydroxy-1-iminopropan-2-yl)carbonimidoyl)-7-(2-methylsulfanylethyl)-15,48,54-trioxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo(32.28.7.719,58.010,14.043,47.049,53)hexaheptaconta-2,5,8,17,20,23,26,29,32,35,38,41,56,63,70-pentadecaen-72-yl)imino)butanoic acid 结构式
Primary record

(3S)-3-(((2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene)amino)-4-hydroxy-4-(((1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-3,6,9,12,18,21,24,27,30,33,36,39,42,45,51,57,63,71-octadecahydroxy-55-((1R)-1-hydroxyethyl)-65-(C-hydroxy-N-((2S)-1-hydroxy-1-iminopropan-2-yl)carbonimidoyl)-7-(2-methylsulfanylethyl)-15,48,54-trioxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo(32.28.7.719,58.010,14.043,47.049,53)hexaheptaconta-2,5,8,17,20,23,26,29,32,35,38,41,56,63,70-pentadecaen-72-yl)imino)butanoic acid

库存
6,976 克
纯度
98.1 %
CAS
140678-12-2

化合物标识与属性

CAS
140678-12-2
PubChem CID
90469965
SMILES
C[C@H]([C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@H](NC(=O)[C@@H]5CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCCCN)CCSC)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCCN)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](C)C(=O)N)CCCCN)CCCNC(=N)N)O)O)O
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]([C@@H](C)O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2

名称与同义词

  • mu-Conotoxin GIIIB
  • mu-Conotoxin G IIIB
  • Conotoxin G IIIB
  • Geographutoxin II
  • micro-conotoxin GIIIB
  • u-Conotoxin GIIIB
  • Gtx II
  • ?-Conotoxin GIIIB
  • .mu.-Conotoxin G IIIB
  • MU-CONOTOXINGIIIB
  • RefChem:819573
  • 140678-12-2
  • Geographutoxin II (GTXII)
  • m-Conotoxin G IIIB (9CI)
  • UNII-V0392408J4
  • SCHEMBL31331885
  • MFCD01076562
  • DTXCID301768923
  • DTXSID701339205
  • BAT-015858
  • V0392408J4
  • FC110369
  • (3S)-3-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-oxo-4-[[(1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-65-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-12,45,51-trihydroxy-55-[(1R)-1-hydroxyethyl]-7-(2-methylsulfanylethyl)-3,6,9,15,18,21,24,27,30,33,36,39,42,48,54,57,63,71-octadecaoxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo[32.28.7.719,58.010,14.043,47.049,53]hexaheptacontan-72-yl]amino]butanoic acid
  • H-RDCCT(hyP)(hyP)RKCKDRRCK(hyP)MKCCA- NH2
  • A1131678
  • Geographutoxin I, 8-L-arginine-14-L-arginine-18-L-methionine-19-L-lysine-
  • L-Alaninamide, L-arginyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4R)-4-hydroxy-L-prolyl-L-arginyl-L-lysyl-L-cysteinyl-L-lysyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-cysteinyl-L-lysyl-(4R)-4-hydroxy-L-prolyl-L-
  • H-Arg-Asp-Cys-Cys-Thr-Hyp-Hyp-Arg-Lys-Cys-Lys-Asp-Arg-Arg-Cys-Lys-Hyp-Met-Lys-Cys-Cys-Ala-NH2
  • (3S)-3-(((2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene)amino)-4-hydroxy-4-(((1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-3,6,9,12,18,21,24,27,30,33,36,39,42,45,51,57,63,71-octadecahydroxy-55-((1R)-1-hydroxyethyl)-65-(C-hydroxy-N-((2S)-1-hydroxy-1-iminopropan-2-yl)carbonimidoyl)-7-(2-methylsulfanylethyl)-15,48,54-trioxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo(32.28.7.719,58.010,14.043,47.049,53)hexaheptaconta-2,5,8,17,20,23,26,29,32,35,38,41,56,63,70-pentadecaen-72-yl)imino)butanoic acid
  • (3S)-3-(((2S)-2-amino-5-carbamimidamidopentanoyl)amino)-4-oxo-4-(((1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-65-(((2S)-1-amino-1-oxopropan-2-yl)carbamoyl)-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-12,45,51-trihydroxy-55-((1R)-1-hydroxyethyl)-7-(2-methylsulfanylethyl)-3,6,9,15,18,21,24,27,30,33,36,39,42,48,54,57,63,71-octadecaoxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo(32.28.7.719,58.010,14.043,47.049,53)hexaheptacontan-72-yl)amino)butanoic acid
  • (3S)-3-[[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino]-4-hydroxy-4-[[(1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-28-(carboxymethyl)-3,6,9,12,18,21,24,27,30,33,36,39,42,45,51,57,63,71-octadecahydroxy-55-[(1R)-1-hydroxyethyl]-65-[C-hydroxy-N-[(2S)-1-hydroxy-1-iminopropan-2-yl]carbonimidoyl]-7-(2-methylsulfanylethyl)-15,48,54-trioxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo[32.28.7.719,58.010,14.043,47.049,53]hexaheptaconta-2,5,8,17,20,23,26,29,32,35,38,41,56,63,70-pentadecaen-72-yl]imino]butanoic acid
  • 86414-29-1
  • L-ALANINAMIDE, L-ARGINYL-L-.ALPHA.-ASPARTYL-L-CYSTEINYL-L-CYSTEINYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-(4R)-4-HYDROXY-L-PROLYL-L-ARGINYL-L-LYSYL-L-CYSTEINYL-L-LYSYL-L-.ALPHA.-ASPARTYL-L-ARGINYL-L-ARGINYL-L-CYSTEINYL-L-LYSYL-(4R)-4-HYDROXY-L-PROLYL-L-METHIONYL-L-LYSYL-L-CYSTEINYL-L-CYSTEINYL-, CYCLIC (3->15),(4->20),(10->21)-TRIS(DISULFIDE)
  • L-ALANINAMIDE, L-ARGINYL-L-ALPHA-ASPARTYL-L-CYSTEINYL-L-CYSTEINYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-(4R)-4-HYDROXY-L-PROLYL-L-ARGINYL-L-LYSYL-L-CYSTEINYL-L-LYSYL-L-ALPHA-ASPARTYL-L-ARGINYL-L-ARGINYL-L-CYSTEINYL-L-LYSYL-(4R)-4-HYDROXY-L-PROLYL-L-METHIONYL-L-LYSYL-L-CYSTEINYL-L-CYSTEINYL-, CYCLIC (3->15),(4->20),(10->21)-TRIS(DISULFIDE)