기본 정보
- 표준 SMILES
CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(=O)OCc1ccccc1)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1- InChIKey
UAFCSFVPRVJFTM-ACHIHNKUSA-N- 분자식
- C38H47F3N4O7
- 평균 분자량
- 728.8 g/mol
이름 및 식별자
- 우선 이름
- (3-{2-[(1S,2S)-1-{[benzyloxycarbonyl-(2,4-dimethyl-benzyl)-amino]-methyl}-2-hydroxy-pentylcarbamoyl]-acetylamino}-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- benzyl N-[(2,4-dimethylphenyl)methyl]-N-[(2S,3S)-3-hydroxy-2-[[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)anilino]-3-oxopropanoyl]amino]hexyl]carbamate
이름 및 동의어
(3-{2-[(1S,2S)-1-{[benzyloxycarbonyl-(2,4-dimethyl-benzyl)-amino]-methyl}-2-hydroxy-pentylcarbamoyl]-acetylamino}-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5034042(3-{2-[(1S, 2S)-1-{[benzyloxycarbonyl-(2,4-dimethyl-benzyl)-amino]-methyl}-2-hydroxy-pentylcarbamoyl]-acetylamino}-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester(3-{2-[(1S,2S)-1{[benzyloxycarbonyl-(2,4-dimethyl-benzyl)-amino]-methyl}-2-hydroxy-pentylcarbamoyl]-acetylamino}-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 69287464
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,160
실험 및 물리화학적 성질
Exact Mass728.33968434 Da
Molecular Weight728.8 g/mol
Monoisotopic Mass728.33968434 Da
Compound Is CanonicalizedYes
관련 반응
4건
화합물 노트
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