Chemical Compound

methyl (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butyldisulfanyl)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanamido]-4-(methylsulfanyl)butanamido]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoate

methyl (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butyldisulfanyl)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanamido]-4-(methylsulfanyl)butanamido]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoate 结构式
Primary record

methyl (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butyldisulfanyl)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanamido]-4-(methylsulfanyl)butanamido]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101365832
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)NC(=O)[C@H](CCCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-])NC(=O)[C@H](CCSC)NC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC=C
Canonical SMILES
C=CCOC(=O)N[C@@H](CSSC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC

名称与同义词

  • J2.124.049D
  • methyl (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butyldisulfanyl)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanamido]-4-(methylsulfanyl)butanamido]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoate
  • N-(Allyloxycarbonyl)-S-(tert-butylthio)-Cys-Met-N6-(7-nitro-2,1,3-benzoxadiazole-4-yl)-Lys-Leu-Pro-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-Cys-OMe