N-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl ester

HCID 86756365
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기본 정보

표준 SMILES
CC(C)Cc1c(C(=O)N(C2CCCCC2)[C@@H](C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COc2c(F)c(F)cc(F)c2F)n(C)c2ccccc12
InChIKey
AXUMRADOXGBRMN-XYXHBKGXSA-N
분자식
C38H47F4N3O6
평균 분자량
717.8 g/mol

이름 및 식별자

우선 이름
N-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl ester
IUPAC
tert-butyl 3-[[(2S)-2-[cyclohexyl-[1-methyl-3-(2-methylpropyl)indole-2-carbonyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

이름 및 동의어

AXUMRADOXGBRMN-XYXHBKGXSA-NN-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl esterN-[(1-methyl-3-isobutyl-indole-2-carbonyl)cyclohexylaianinyl]-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl esterN-[(1-methyl-3-isobutyl-indole-2-carbonyl)cyclohexylalaninyl]-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenyloxy)-pentanoic acid, tert-butyl ester

데이터베이스 식별자

PubChem CID
86756365

물성

구조 계산 물성

XLogP
7.6
극성 표면적
107 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
15
무거운 원자 수
51

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