Chemical Compound

(2R)-2-(((1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-(((2S)-4-carboxy-2-(((2S)-3-carboxy-2-(((2R)-2,4-diamino-4-oxobutanoyl)amino)propanoyl)amino)butanoyl)amino)-37-(2-carboxyethyl)-27-((1R)-1-hydroxyethyl)-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo(14.13.13)dotetracontane-21-carbonyl)amino)-4-methylpentanoic acid

CAS Registry Number 1092457-65-2
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(2R)-2-(((1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-(((2S)-4-carboxy-2-(((2S)-3-carboxy-2-(((2R)-2,4-diamino-4-oxobutanoyl)amino)propanoyl)amino)butanoyl)amino)-37-(2-carboxyethyl)-27-((1R)-1-hydroxyethyl)-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo(14.13.13)dotetracontane-21-carbonyl)amino)-4-methylpentanoic acid 结构式
Primary record

(2R)-2-(((1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-(((2S)-4-carboxy-2-(((2S)-3-carboxy-2-(((2R)-2,4-diamino-4-oxobutanoyl)amino)propanoyl)amino)butanoyl)amino)-37-(2-carboxyethyl)-27-((1R)-1-hydroxyethyl)-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo(14.13.13)dotetracontane-21-carbonyl)amino)-4-methylpentanoic acid

库存
8,519 克
纯度
98.5 %
CAS
1092457-65-2

化合物标识与属性

CAS
1092457-65-2
PubChem CID
91826710
SMILES
C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)N)N
Canonical SMILES
CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CC(N)=O)CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC2=O)NC1=O

名称与同义词

  • Dolcanatide
  • dolcanatida
  • dolcanatidum
  • Dolcanatide [USAN]
  • UNII-WU977T914K
  • RefChem:135584
  • Dolcanatide (SP-333)
  • WU977T914K
  • SP-333
  • orb1981175
  • CHEMBL5174775
  • SCHEMBL30387395
  • GTPL10011
  • SP333
  • HY-P3499
  • SP 333
  • 1092457-65-2
  • DA-52656
  • CS-0615000
  • A987736
  • D-Leucine, D-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (4->12),(7->15)-bis(disulfide)
  • (2R)-2-(((1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-(((2S)-4-carboxy-2-(((2S)-3-carboxy-2-(((2R)-2,4-diamino-4-oxobutanoyl)amino)propanoyl)amino)butanoyl)amino)-37-(2-carboxyethyl)-27-((1R)-1-hydroxyethyl)-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo(14.13.13)dotetracontane-21-carbonyl)amino)-4-methylpentanoic acid
  • (2R)-2-[[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-25-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7,13-di(propan-2-yl)-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecazabicyclo[14.13.13]dotetracontane-38-carbonyl]amino]-4-methylpentanoic acid
  • (2R)-2-[[(1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-37-(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo[14.13.13]dotetracontane-21-carbonyl]amino]-4-methylpentanoic acid
  • asn-asp-glu-cys-glu-leu-cys-val-asn-val-ala-cys-thr-gly-cys-leu (4->12),(7->15)-bis(disulfide)
  • D-Leucine, D-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (4-12),(7-15)-bis(disulfide)