N-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamide

HCID 514653
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기본 정보

표준 SMILES
C=CCCC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C
InChIKey
NNZULKFQXQUMRP-GVXSCFBNSA-N
분자식
C28H34N2O5S
평균 분자량
510.6 g/mol

이름 및 식별자

우선 이름
N-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamide
IUPAC
N-[(2S,3S)-4-[(4R)-5,5-dimethyl-4-pent-4-enoyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide

이름 및 동의어

SCHEMBL5216348NNZULKFQXQUMRP-GVXSCFBNSA-NN-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamideN-[(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamideN-{(1S,2S)-1-Benzyl-3-[(4R)-5,5-dimethyl-4-pent-4-enoyl-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-hydroxy-2-methylbenzamide

데이터베이스 식별자

PubChem CID
514653

물성

구조 계산 물성

XLogP
4.1
극성 표면적
132 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
36

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