Chemical Compound

(2S)-6-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-benzyl-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-(propan-2-yl)-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]hexanamide

(2S)-6-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-benzyl-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-(propan-2-yl)-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]hexanamide 结构式
Primary record

(2S)-6-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-benzyl-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-(propan-2-yl)-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177579924
SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)NC(CSSC2(CCCCC2)CC(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CC4=CC=C(C=C4)OC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)CC(=O)N
Canonical SMILES
COc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)C(Cc3ccccc3)NC2=O)cc1

名称与同义词

  • J442.960E
  • (2S)-6-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-benzyl-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-(propan-2-yl)-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]hexanamide
  • 1-Mercapto(1)cyclohexylacetyl-O-methyl-L-Tyr-L-Phe-L-Val-L-Asn-L-Cys(1)-L-Pro-L-Lys-D-Tyr-NH2