(R)-6-((3-(4-(3-(2-((2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)amino)-2-methylpropyl)benzoyl)piperazine-1-carbonyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide
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기본 정보
- 표준 SMILES
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N5CCN(C(=O)c6cccc(CC(C)(C)NC[C@H](O)c7ccc(OCc8ccccc8)c8[nH]c(=O)ccc78)c6)CC5)c4)cc23)c1- InChIKey
ZPHOMTQMXWBRQQ-GGCSAXROSA-N- 분자식
- C58H57N7O9S
- 평균 분자량
- 1,028.2 g/mol
이름 및 식별자
- 우선 이름
- (R)-6-((3-(4-(3-(2-((2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)amino)-2-methylpropyl)benzoyl)piperazine-1-carbonyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide
- IUPAC
- 6-[3-[4-[3-[2-[[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]piperazine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
이름 및 동의어
SCHEMBL1309683ZPHOMTQMXWBRQQ-GGCSAXROSA-N(R)-6-((3-(4-(3-(2-((2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)amino)-2-methylpropyl)benzoyl)piperazine-1-carbonyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide
데이터베이스 식별자
- PubChem CID
- 86659113
물성
구조 계산 물성보충 중
- XLogP
- 6.9
- 극성 표면적
- 231 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 2,090
관련 반응
1건
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