Chemical Compound

Methyl (3S,6S,9S,12R,15S,18S,21R,27S,30S,35aS)-15,27-dibenzyl-9-(2-cyclohexylethyl)-6,12-diisobutyl-3,30-diisopropyl-14,18,22,22,35a-pentamethyl-1,4,7,10,13,16,19,25,28,31-decaoxotetratriacontahydropyrrolo[1,2-j][1]thia[4,7,10,13,16,19,25,28,31]nonaazacyclotritriacontine-21-carboxylate

Methyl (3S,6S,9S,12R,15S,18S,21R,27S,30S,35aS)-15,27-dibenzyl-9-(2-cyclohexylethyl)-6,12-diisobutyl-3,30-diisopropyl-14,18,22,22,35a-pentamethyl-1,4,7,10,13,16,19,25,28,31-decaoxotetratriacontahydropyrrolo[1,2-j][1]thia[4,7,10,13,16,19,25,28,31]nonaazacyclotritriacontine-21-carboxylate 结构式
Primary record

Methyl (3S,6S,9S,12R,15S,18S,21R,27S,30S,35aS)-15,27-dibenzyl-9-(2-cyclohexylethyl)-6,12-diisobutyl-3,30-diisopropyl-14,18,22,22,35a-pentamethyl-1,4,7,10,13,16,19,25,28,31-decaoxotetratriacontahydropyrrolo[1,2-j][1]thia[4,7,10,13,16,19,25,28,31]nonaazacyclotritriacontine-21-carboxylate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
171378562
SMILES
C[C@H]1C(=O)N[C@@H](C(SCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@]2(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)CC(C)C)CCC4CCCCC4)CC(C)C)C(C)C)C)C(C)C)CC5=CC=CC=C5)(C)C)C(=O)OC
Canonical SMILES
COC(=O)[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)CC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC1(C)C

名称与同义词

  • HIV-1 protease-IN-16
  • HIV-1 protease inhibitor 16
  • GLXC-15545
  • Methyl (3S,6S,9S,12R,15S,18S,21R,27S,30S,35aS)-15,27-dibenzyl-9-(2-cyclohexylethyl)-6,12-diisobutyl-3,30-diisopropyl-14,18,22,22,35a-pentamethyl-1,4,7,10,13,16,19,25,28,31-decaoxotetratriacontahydropyrrolo[1,2-j][1]thia[4,7,10,13,16,19,25,28,31]nonaazacyclotritriacontine-21-carboxylate