(1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyrylamino)-cyclopropyl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HCID 66620192

기본 정보

표준 SMILES
COC(=O)NC(C(=O)NC1(c2ncc(-c3ccc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)cc3)[nH]2)CC1)C(C)C
InChIKey
LJARROIIDRNQFX-UHFFFAOYSA-N
분자식
C39H48N8O6
평균 분자량
724.8 g/mol

이름 및 식별자

우선 이름
(1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyrylamino)-cyclopropyl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
IUPAC
methyl N-[1-[2-[5-[4-[4-[2-[1-[[2-(methoxycarbonylamino)-3-methylbutanoyl]amino]cyclopropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

이름 및 동의어

SCHEMBL203435LJARROIIDRNQFX-UHFFFAOYSA-N(1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyrylamino)-cyclopropyl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

데이터베이스 식별자

PubChem CID
66620192

물성

구조 계산 물성

XLogP
4.7
극성 표면적
183 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
8
회전 가능 결합 수
14
무거운 원자 수
53

관련 반응

5건

연결된 노트

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