(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-((3R)-3-piperidinylmethyl)pyrrolidine-2-carboxamide

HCID 16086004

기본 정보

표준 SMILES
O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
NKECRNQFOBAVDC-SVSXPMSYSA-N
분자식
C37H44N4O4
평균 분자량
608.8 g/mol

이름 및 식별자

우선 이름
(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-((3R)-3-piperidinylmethyl)pyrrolidine-2-carboxamide
IUPAC
(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]-N-[[(3R)-piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

이름 및 동의어

CHEMBL378885SCHEMBL4579755NKECRNQFOBAVDC-SVSXPMSYSA-NBDBM50194644(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-((3R)-3-piperidinylmethyl)pyrrolidine-2-carboxamide(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-N-((3R) -3-piperidyl-methyl)pyrrolidine-2-carboxamide(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-N-((3R)-3-piperidylmethyl)pyrrolidine-2-carboxamide(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenypropanoyl)pyrrolidin-2-yl}carbonyl-N-((3R)-3-piperidyl-methyl)pyrrolidine-2-carboxamide

데이터베이스 식별자

PubChem CID
16086004
ChEMBL
CHEMBL378885

물성

구조 계산 물성

XLogP
4
극성 표면적
102 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
45

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4건

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