Methyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride

HCID 67413654
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기본 정보

표준 SMILES
COC(=O)N(C)[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6)[nH]5)cc4)cc3)cc2[nH]1)C(C)C.Cl
InChIKey
KURLVALDJISRGW-DMUPGHHHSA-N
분자식
C40H48ClN7O3
평균 분자량
710.3 g/mol

이름 및 식별자

우선 이름
Methyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride
IUPAC
methyl N-methyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[6-[4-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;hydrochloride

이름 및 동의어

SCHEMBL2451385SCHEMBL14841692KURLVALDJISRGW-DMUPGHHHSA-Nmethyl {(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloridemethyl methyl((S)-3-methyl-1-((2S,4S)-4-methyl-2-(6-(4'-(2-((2S,4S)-4-methylpyrrolidin-2-yl)-1H-imidazol-5-yl)[1,1'-biphenyl]-4-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-1-oxobutan-2-yl)carbamate hydrochlorideMethyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride

데이터베이스 식별자

PubChem CID
67413654

물성

구조 계산 물성

극성 표면적
119 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
9
무거운 원자 수
51

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