(S)-N-((2S,3S)-2-methyl-5-((3-methylquinolin-4-yl)methyl)-1-(2-(methylsulfonyl)acetyl)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride
기본 정보
- 표준 SMILES
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)cnc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C.Cl- InChIKey
DYHJNNCPBDCVFG-ARDAOUDLSA-N- 분자식
- C28H34ClN5O5S
- 평균 분자량
- 588.1 g/mol
이름 및 식별자
- 우선 이름
- (S)-N-((2S,3S)-2-methyl-5-((3-methylquinolin-4-yl)methyl)-1-(2-(methylsulfonyl)acetyl)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride
- IUPAC
- (2S)-2-(methylamino)-N-[(3S,4S)-4-methyl-1-[(3-methylquinolin-4-yl)methyl]-5-(2-methylsulfonylacetyl)-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]propanamide;hydrochloride
이름 및 동의어
SCHEMBL15621762DYHJNNCPBDCVFG-ARDAOUDLSA-N(S)-N-((2S,3S)-2-methyl-5-((3-methylquinolin-4-yl)methyl)-1-(2-(methylsulfonyl)acetyl)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride
데이터베이스 식별자
- PubChem CID
- 73427178
물성
구조 계산 물성
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,020
관련 반응
1건
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