((S)-1-{(S)-2-[4-(4'-{[6-((2R,5S)-2,5-Dimethyl-piperazin-1-yl)-pyridine-3-carbonyl]-amino}-2'-trifluoromethoxy-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HCID 178502383
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기본 정보

표준 SMILES
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(N5C[C@H](C)NC[C@H]5C)nc4)cc3OC(F)(F)F)cc2)c[nH]1)C(C)C
InChIKey
GHOQIFARZWRZEM-GTWHSWCGSA-N
분자식
C39H45F3N8O5
평균 분자량
762.8 g/mol
단동위원소 질량
762.34650105

이름 및 식별자

우선 이름
((S)-1-{(S)-2-[4-(4'-{[6-((2R,5S)-2,5-Dimethyl-piperazin-1-yl)-pyridine-3-carbonyl]-amino}-2'-trifluoromethoxy-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
IUPAC
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

이름 및 동의어

((S)-1-{(S)-2-[4-(4'-{[6-((2R,5S)-2,5-Dimethyl-piperazin-1-yl)-pyridine-3-carbonyl]-amino}-2'-trifluoromethoxy-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester1374891-80-1SCHEMBL2681549Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[4'-[[[6-[(2R,5S)-2,5-dimethyl-1-piperazinyl]-3-pyridinyl]carbonyl]amino]-2'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl esterCarbamicacid,N-[(1S)-1-[[(2S)-2-[5-[4'-[[[6-[(2R,5S)-2,5-dimethyl-1-piperazinyl]-3-pyridinyl]carbonyl]amino]-2'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-,methylester

데이터베이스 식별자

PubChem CID
67495012

물성

구조 계산 물성

XLogP
5.9
극성 표면적
154 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
12
회전 가능 결합 수
11
무거운 원자 수
55

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