(S)-2-{[(3R,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl]-amino}-3-(4'-methoxy-biphenyl-4-yl)-propionic acid

HCID 59337448

기본 정보

표준 SMILES
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)cc2)cc1)C(=O)O)N(C)C(=O)[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3
InChIKey
GGMBMFPUDVMNNM-QLEABDMDSA-N
분자식
C51H47Cl2N3O7
평균 분자량
884.8 g/mol
단동위원소 질량
883.2791062

이름 및 식별자

우선 이름
(S)-2-{[(3R,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl]-amino}-3-(4'-methoxy-biphenyl-4-yl)-propionic acid
IUPAC
(2S)-2-[[(3R,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-2-oxo-7-[(1S)-1-phenylpropyl]-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]-3-[4-(4-methoxyphenyl)phenyl]propanoic acid

이름 및 동의어

SCHEMBL1152225GGMBMFPUDVMNNM-QLEABDMDSA-N(S)-2-{[(3R,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl]-amino}-3-(4'-methoxy-biphenyl-4-yl)-propionic acid

데이터베이스 식별자

PubChem CID
59337448

물성

구조 계산 물성

XLogP
8
극성 표면적
118 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
14
무거운 원자 수
63

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7건

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