{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutyl}methyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)pentylcarbamate

HCID 11753176
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기본 정보

표준 SMILES
CCCC[C@H](NC(=O)OCC1(Cc2nc(-c3ccccc3)cs2)CCC1)C(O)C(=O)N[C@H](C)c1ccccc1
InChIKey
DRJLELKVMHTHGW-NISFJFIFSA-N
분자식
C31H39N3O4S
평균 분자량
549.7 g/mol

이름 및 식별자

우선 이름
{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutyl}methyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)pentylcarbamate
IUPAC
[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methyl N-[(3S)-2-hydroxy-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate

이름 및 동의어

SCHEMBL14260255DRJLELKVMHTHGW-NISFJFIFSA-N{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutyl}methyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)pentylcarbamate{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutyl}methyl(1S)-1-(1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl)pentylcarbamate

데이터베이스 식별자

PubChem CID
11753176

물성

구조 계산 물성

XLogP
6.2
극성 표면적
129 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
14
무거운 원자 수
39

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