(S)-7-((S)-2-biphenyl-4-yl-1-methoxycarbonyl-ethylcarbamoyl)-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6-carboxylic acid isopropyl ester

HCID 68584068

기본 정보

표준 SMILES
COC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)C)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N3
InChIKey
QQWGOGVWXSSPTC-PZKPWUIHSA-N
분자식
C45H41Cl2N3O8
평균 분자량
822.7 g/mol
단동위원소 질량
821.2270707

이름 및 식별자

우선 이름
(S)-7-((S)-2-biphenyl-4-yl-1-methoxycarbonyl-ethylcarbamoyl)-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6-carboxylic acid isopropyl ester
IUPAC
propan-2-yl (3S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-8-[[(2S)-1-methoxy-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamoyl]-2-oxo-1,6,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-7-carboxylate

이름 및 동의어

SCHEMBL3292534QQWGOGVWXSSPTC-PZKPWUIHSA-N(S)-7((S)-2-biphenyl-4-yl-1-methoxycarbonyl-ethylcarbamoyl)-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6-carboxylic acid isopropyl ester(S)-7-((S)-2-biphenyl-4-yl-1-methoxycarbonyl-ethylcarbamoyl)-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6-carboxylic acid isopropyl ester

데이터베이스 식별자

PubChem CID
68584068

물성

구조 계산 물성

XLogP
8.7
극성 표면적
133 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
13
무거운 원자 수
58

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4건

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