(4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide

HCID 514529
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기본 정보

표준 SMILES
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc3[nH]ccc23)CSC1(C)C
InChIKey
WCECCKBYIFABJL-YTCPBCGMSA-N
분자식
C33H36N4O4S
평균 분자량
584.7 g/mol

이름 및 식별자

우선 이름
(4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide
IUPAC
(4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

이름 및 동의어

SCHEMBL14578556WCECCKBYIFABJL-YTCPBCGMSA-N(4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide1H-Indole-4-carboxylic acid {(1S,2S)-1-benzyl-3-[(R)-5,5-dimethyl-4-(2-methyl-benzylcarbamoyl)-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl}-amideN-[(1S,2S)-1-Benzyl-3-((4R)-5,5-dimethyl-4-{[(2-methylbenzyl)amino]carbonyl}-1,3-thiazolidin-3-yl)-2-hydroxy-3-oxopropyl]-1H-indole-4-carboxamide

데이터베이스 식별자

PubChem CID
514529

물성

구조 계산 물성

XLogP
4.6
극성 표면적
140 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
42

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