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)-16,31,37,40-tetrakis(4-aminobutyl)-4,25-bis(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)-7,22-bis(3-hydroxy-3-iminopropyl)-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 129129-65-3
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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)-16,31,37,40-tetrakis(4-aminobutyl)-4,25-bis(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)-7,22-bis(3-hydroxy-3-iminopropyl)-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)-16,31,37,40-tetrakis(4-aminobutyl)-4,25-bis(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)-7,22-bis(3-hydroxy-3-iminopropyl)-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
6,087 克
纯度
99.2 %
CAS
129129-65-3

化合物标识与属性

CAS
129129-65-3
PubChem CID
56843427
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)CCCNC(=N)N)CCC(=O)N)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)CCC(=O)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)CCCCN)O)O)O
Canonical SMILES
C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC2=O)C(=O)N1)C(N)=O

名称与同义词

  • Geographutoxin I
  • mu-conotoxin GIIIA
  • Conotoxin giii
  • mu-Conotoxin G IIIA
  • Conotoxin G IIIA
  • Conotoxin G III
  • mu Conotoxin giiia
  • mu Conotoxin giiib
  • mu Conotoxin giiic
  • m-Conotoxin GIIIA
  • u-Conotoxin GIIIA
  • micro-Conotoxin GIIIA
  • GTX I
  • glutathionyl-S-Co-Cbl
  • .mu.-Conotoxin G IIIA
  • MU-CONOTOXINGIIIA
  • RefChem:819572
  • UNII-0C5T02KI0E
  • CHEMBL4562161
  • 129129-65-3
  • 0C5T02KI0E
  • mu-Conotoxin G IIIA (reduced)
  • SCHEMBL29575855
  • DTXSID101339126
  • DTXSID801364956
  • BDBM50520482
  • MFCD00671421
  • BAT-015143
  • C100H176N38O12S6
  • CID:56843427
  • FC108760
  • SID:329585594
  • 86394-16-3
  • C100-H176-N38-O12-S6
  • H-RDCCT(hyP)(hyP)KKCKDRQCK(hyP)QRCCA- NH2
  • C046101
  • A1120101
  • (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)-16,31,37,40-tetrakis(4-aminobutyl)-65-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-7,22-bis(3-amino-3-oxopropyl)-4,25-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-12,45,51-trihydroxy-55-[(1R)-1-hydroxyethyl]-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-Arg-Asp-Cys-Cys-Thr-Hyp-Hyp-Lys-Lys-Cys-Lys-Asp-Arg-Gln-Cys-Lys-Hyp-Gln-Arg-Cys-Cys-Ala-NH2
  • L-Alaninamide, L-arginyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4R)-4-hydroxy-L-prolyl-L-lysyl-L-lysyl-L-cysteinyl-L-lysyl-L-alpha-aspartyl-L-arginyl-L-glutaminyl-L-cysteinyl-L-lysyl-(4R)-4-hydroxy-L-prolyl-l
  • (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)-16,31,37,40-tetrakis(4-aminobutyl)-4,25-bis(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)-7,22-bis(3-hydroxy-3-iminopropyl)-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)-16,31,37,40-tetrakis(4-aminobutyl)-65-(((2S)-1-amino-1-oxopropan-2-yl)carbamoyl)-7,22-bis(3-amino-3-oxopropyl)-4,25-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-12,45,51-trihydroxy-55-((1R)-1-hydroxyethyl)-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
  • 101484-15-5
  • ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-GLN-CYS-LYS-HYP-GLN-ARG-CYS-CYS-ALA-NH2
  • L-arginyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4R)-4-hydroxy-L-prolyl-L-lysyl-L-lysyl-L-cysteinyl-L-lysyl-L-alpha-aspartyl-L-arginyl-L-glutaminyl-L-cysteinyl-L-lysyl-(4R)-4-hydroxy-L-prolyl-L-glutaminyl-L-arginyl-L-cysteinyl-L-cysteinyl-L-alaninamide (3->15),(4->20),(10->21)-tris(disulfide)