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
- 형식 전하
- 0
- 복잡도
- 957
관련 반응
4건
화합물 노트
불러오는 중…