(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-N-{((3S)-1-methyl-3-piperidyl)methyl}pyrrolidine-2-carboxamide

HCID 69100833
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기본 정보

표준 SMILES
CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIKey
XWYCLEKTMDHXHU-GEMWQUSFSA-N
분자식
C38H46N4O4
평균 분자량
622.8 g/mol

이름 및 식별자

우선 이름
(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-N-{((3S)-1-methyl-3-piperidyl)methyl}pyrrolidine-2-carboxamide
IUPAC
(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide

이름 및 동의어

SCHEMBL4578739XWYCLEKTMDHXHU-GEMWQUSFSA-N(2R)-1-{(2S, 4R)-4-hydroxy-1-(3,3, 3-triphenylpropanoyl)-pyrrolidin-2-yl}carbonyl-N-{((3S)-1-methyl-3-piperidyl)methyl}-pyrrolidine-2-carboxamide(2r)-1-{(2s,4r)-4-hydroxy-1-(3,3, 3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-n-{((3s)-1-methyl-3-piperidyl)methyl}pyrrolidine-2-carboxamide(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-N-{((3S)-1-methyl-3-piperidyl)methyl}pyrrolidine-2-carboxamide

데이터베이스 식별자

PubChem CID
69100833

물성

구조 계산 물성

XLogP
4.5
극성 표면적
93.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
46

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