기본 정보
- CAS
193085-62-0- 표준 SMILES
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)OC(C)(C)C- InChIKey
BXZARTWTGAEBFT-VSGBNLITSA-N- 분자식
- C32H39N3O4
- 평균 분자량
- 529.7 g/mol
- 단동위원소 질량
- 529.29405673
이름 및 식별자
- 우선 이름
- ((1R)-2-(1,1'-Biphenyl-4-yl)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)ethyl)methyl-carbamic acid tert-butylester
- IUPAC
- tert-butyl N-methyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
이름 및 동의어
SCHEMBL6317068BXZARTWTGAEBFT-VSGBNLITSA-NDTXSID101108939((1R)-2-(1,1'-Biphenyl-4-yl)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)ethyl)methyl-carbamic acid tert-butylester193085-62-0((1R)-2-(1 ,1'-biphenyl-4-yl)-1-(methyl-((1R)-1-methylcarbamoyl-2-phenylethyl)carbamoyl)ethyl)methylcarbamic acid tert-butyl ester((1R)-2-(1,1 '-Biphenyl-4-yl)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)-carbamoyl)ethyl)methyl-carbamic acid tert-butylester((1R)-2-(1,1'-Biphenyl-4-yl)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)-carbamoyl)ethyl)methyl-carbamic acid tert-butylester((1R)-2-(1,1'-biphenyl-4-yl)-1-(methyl-((1R)-1-methylcarbamoyl-2-phenylethyl)carbamoyl)ethyl)methylcarbamic acid tert-butyl esterD-Phenylalaninamide, 3-[1,1a(2)-biphenyl]-4-yl-N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-D-alanyl-N,NI+/--dimethyl-
데이터베이스 식별자
- CAS
193085-62-0- PubChem CID
- 10530245
- DTXSID
DTXSID101108939
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 79 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 790
관련 반응
6건
화합물 노트
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