Chemical Compound

(3S)-3-[(2S)-2-[(2S)-2-{[(3S,6S,9R,17R)-9-{[(tert-butoxy)carbonyl]amino}-3-butyl-2,5,8,11-tetraoxo-6-{[4-(sulfooxy)phenyl]methyl}-1,4,7,12-tetraazacycloheptadecan-17-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid

CAS Registry Number 115295-08-4
返回搜索 申请报价
(3S)-3-[(2S)-2-[(2S)-2-{[(3S,6S,9R,17R)-9-{[(tert-butoxy)carbonyl]amino}-3-butyl-2,5,8,11-tetraoxo-6-{[4-(sulfooxy)phenyl]methyl}-1,4,7,12-tetraazacycloheptadecan-17-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid 结构式
Primary record

(3S)-3-[(2S)-2-[(2S)-2-{[(3S,6S,9R,17R)-9-{[(tert-butoxy)carbonyl]amino}-3-butyl-2,5,8,11-tetraoxo-6-{[4-(sulfooxy)phenyl]methyl}-1,4,7,12-tetraazacycloheptadecan-17-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid

库存
4,314 克
纯度
99.2 %
CAS
115295-08-4

化合物标识与属性

CAS
115295-08-4
PubChem CID
171360225
SMILES
CCCCC1C(=O)NC(CCCCNC(=O)CC(C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OS(=O)(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N
Canonical SMILES
CCCCC1NC(=O)[C@H](Cc2ccc(OS(=O)(=O)O)cc2)NC(=O)C(NC(=O)OC(C)(C)C)CC(=O)NCCCCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O

名称与同义词

  • BC-197
  • J575.150K
  • N-Boc-D-Asp(1)-O-Sulfo-L-Tyr-L-Nle-D-Lys(1)-L-Trp-L-Nle-L-Asp-L-Phe-NH2
  • (3S)-3-[(2S)-2-[(2S)-2-{[(3S,6S,9R,17R)-9-{[(tert-butoxy)carbonyl]amino}-3-butyl-2,5,8,11-tetraoxo-6-{[4-(sulfooxy)phenyl]methyl}-1,4,7,12-tetraazacycloheptadecan-17-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
  • 115295-08-4
  • N-[[(1R,4S,7S,10R)-4-Butyl-10-[(1,1-dimethylethoxy)carbonylamino]-7-[4-(sulfooxy)benzyl]-3,6,9,12-tetraoxo-2,5,8,13-tetraazacycloheptadecan-1-yl]carbonyl]-L-Trp-L-Nle-L-Asp-L-Phe-NH2