(1-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}cyclobutyl)methyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)pentylcarbamate

HCID 11397962
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기본 정보

표준 SMILES
CCCC[C@H](NC(=O)OCC1(CSc2nccn2C)CCC1)C(O)C(=O)N[C@H](C)c1ccccc1
InChIKey
UGVBQBPRFRQFII-DOYJUQJDSA-N
분자식
C26H38N4O4S
평균 분자량
502.7 g/mol
단동위원소 질량
502.26137688

이름 및 식별자

우선 이름
(1-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}cyclobutyl)methyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)pentylcarbamate
IUPAC
[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methyl N-[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate

이름 및 동의어

SCHEMBL14260260UGVBQBPRFRQFII-DOYJUQJDSA-N(1-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}cyclobutyl)methyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)pentylcarbamate(1-{[(1-methyl-1h-imidazol-2-yl)sulfanyl]methyl}cyclobutyl)methyl(1S)-1-(1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl)pentylcarbamate

데이터베이스 식별자

PubChem CID
11397962

물성

구조 계산 물성

XLogP
4.2
극성 표면적
131 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
14
무거운 원자 수
35

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