Chemical Compound

(3S,6R)-3beta,1-[Imino[(2S,5S,6R,9S,12S,15S)-5-[N-[(2R)-3-(4-hydroxyphenyl)-2-hydroxypropionyl]-3-(carbamoylmethyl)alanylamino]-6-methyl-9-[(S)-sec-butyl]-2,12-bis(4-hydroxybenzyl)-13-methyl-15-isobutyl-1,4,8,11,14-pentaoxo-7-oxa-3,10,13-triazapentadecane-1,15-diyl]]-6beta-hydroxypiperidine-2-one

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(3S,6R)-3beta,1-[Imino[(2S,5S,6R,9S,12S,15S)-5-[N-[(2R)-3-(4-hydroxyphenyl)-2-hydroxypropionyl]-3-(carbamoylmethyl)alanylamino]-6-methyl-9-[(S)-sec-butyl]-2,12-bis(4-hydroxybenzyl)-13-methyl-15-isobutyl-1,4,8,11,14-pentaoxo-7-oxa-3,10,13-triazapentadecane-1,15-diyl]]-6beta-hydroxypiperidine-2-one 结构式
Primary record

(3S,6R)-3beta,1-[Imino[(2S,5S,6R,9S,12S,15S)-5-[N-[(2R)-3-(4-hydroxyphenyl)-2-hydroxypropionyl]-3-(carbamoylmethyl)alanylamino]-6-methyl-9-[(S)-sec-butyl]-2,12-bis(4-hydroxybenzyl)-13-methyl-15-isobutyl-1,4,8,11,14-pentaoxo-7-oxa-3,10,13-triazapentadecane-1,15-diyl]]-6beta-hydroxypiperidine-2-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177469970
SMILES
CC[C@H](C)[C@H]1C(=O)O[C@@H](C(C(=O)NC(C(=O)N[C@H]2CC[C@H](N(C2=O)C(C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)O)C)CC(C)C)O)CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC5=CC=C(C=C5)O)O)C
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)C(CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)OC1=O

名称与同义词

  • J2.450.505G
  • (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]pentanediamide
  • (3S,6R)-3beta,1-[Imino[(2S,5S,6R,9S,12S,15S)-5-[N-[(2R)-3-(4-hydroxyphenyl)-2-hydroxypropionyl]-3-(carbamoylmethyl)alanylamino]-6-methyl-9-[(S)-sec-butyl]-2,12-bis(4-hydroxybenzyl)-13-methyl-15-isobutyl-1,4,8,11,14-pentaoxo-7-oxa-3,10,13-triazapentadecane-1,15-diyl]]-6beta-hydroxypiperidine-2-one