Chemical Compound

3-[2-(2-{[31-amino-39-benzyl-22,42-bis(carbamoylmethyl)-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-methylpropyl)-16-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl]formamido}-3-(1H-imidazol-4-yl)propanamido)-4-carbamoylbutanamido]-3-({1-[(1-{[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl)carbamoyl]-2-methylpropyl}carbamoyl)propanoic acid

CAS Registry Number 121695-87-2
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3-[2-(2-{[31-amino-39-benzyl-22,42-bis(carbamoylmethyl)-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-methylpropyl)-16-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl]formamido}-3-(1H-imidazol-4-yl)propanamido)-4-carbamoylbutanamido]-3-({1-[(1-{[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl)carbamoyl]-2-methylpropyl}carbamoyl)propanoic acid 结构式
Primary record

3-[2-(2-{[31-amino-39-benzyl-22,42-bis(carbamoylmethyl)-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-methylpropyl)-16-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl]formamido}-3-(1H-imidazol-4-yl)propanamido)-4-carbamoylbutanamido]-3-({1-[(1-{[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl)carbamoyl]-2-methylpropyl}carbamoyl)propanoic acid

库存
1,241 克
纯度
98.8 %
CAS
121695-87-2

化合物标识与属性

CAS
121695-87-2
PubChem CID
131954542
SMILES
CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CNC=N3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC6=CC=CC=C6)CC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CC(=O)N)CC(=O)O)CCSC)C(C)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C(C)O)N
Canonical SMILES
CCC(C)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CSSCC(N)C(=O)NC(C(C)O)C(=O)NC2CSSCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC2=O)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

名称与同义词

  • Sarafotoxin S6c
  • Sarafotoxin 6c
  • Sarafotoxin C
  • Sarafotoxin S-6c
  • SRTX-c
  • PSF-4246-S
  • 121695-87-2
  • AS-89683
  • J487.157J
  • 3-[2-(2-{[31-amino-39-benzyl-22,42-bis(carbamoylmethyl)-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-methylpropyl)-16-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl]formamido}-3-(1H-imidazol-4-yl)propanamido)-4-carbamoylbutanamido]-3-({1-[(1-{[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl)carbamoyl]-2-methylpropyl}carbamoyl)propanoic acid
  • Cys-Thr-Cys-Asn-Asp-Met-Thr-Asp-Glu-Glu-Cys-Leu-Asn-Phe-Cys-His-Gln-Asp-Val-Ile-Trp