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

HCID 16086003
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기본 정보

표준 SMILES
O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
IPLIEWKYFXHNMH-SLGZMBILSA-N
분자식
C37H44N4O4
평균 분자량
608.8 g/mol
단동위원소 질량
608.3362559

이름 및 식별자

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

이름 및 동의어

CHEMBL214642SCHEMBL4579006IPLIEWKYFXHNMH-SLGZMBILSA-NBDBM50194656(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-(4-piperidinylmethyl)pyrrolidine-2-carboxamide(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenyl-propanoyl)pyrrolidin-2-yl}carbonyl-N-(4-piperidylmethyl)-pyrrolidine-2-carboxamide(2R)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonyl-N-(4-piperidylmethyl)pyrrolidine-2-carboxamide

데이터베이스 식별자

PubChem CID
16086003
ChEMBL
CHEMBL214642

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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