methyl (2R)-2-amino-5-[5-[{2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl}(methyl)amino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-4-pentynoate

HCID 57965568

기본 정보

표준 SMILES
COC(=O)[C@H](N)CC#Cc1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIKey
JUYBZGUDQCFVEB-RUZDIDTESA-N
분자식
C31H28F7N3O3
평균 분자량
623.6 g/mol

이름 및 식별자

우선 이름
methyl (2R)-2-amino-5-[5-[{2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl}(methyl)amino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-4-pentynoate
IUPAC
methyl (2R)-2-amino-5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pent-4-ynoate

이름 및 동의어

methyl (2R)-2-amino-5-[5-[{2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl}(methyl)amino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-4-pentynoateSCHEMBL1430429

데이터베이스 식별자

PubChem CID
57965568

물성

구조 계산 물성

XLogP
6.3
극성 표면적
85.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
12
회전 가능 결합 수
8
무거운 원자 수
44

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