(R)-1-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-{4-[(S)-2-(2-morpholin-4-yl-ethoxycarbonyl)-pyrrolidin-1-yl]-piperidin-1-yl}-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate
기본 정보
- 표준 SMILES
Nc1c(Cl)cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCC[C@H]3C(=O)OCCN3CCOCC3)CC2)cc1C(F)(F)F- InChIKey
AKMZVABVYJDWDW-OIDHKYIRSA-N- 분자식
- C41H53ClF3N7O7
- 평균 분자량
- 848.3 g/mol
이름 및 식별자
- 우선 이름
- (R)-1-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-{4-[(S)-2-(2-morpholin-4-yl-ethoxycarbonyl)-pyrrolidin-1-yl]-piperidin-1-yl}-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate
- IUPAC
- [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-[(2S)-2-(2-morpholin-4-ylethoxycarbonyl)pyrrolidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
이름 및 동의어
(R)-1-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-{4-[(S)-2-(2-morpholin-4-yl-ethoxycarbonyl)-pyrrolidin-1-yl]-piperidin-1-yl}-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylateSCHEMBL1206690
데이터베이스 식별자
- PubChem CID
- 16045805
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,450
관련 반응
2건
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