(R)-7-[3-tert-butoxycarbonylamino-4-(2,4,5-trifluoro-phenyl)-butyryl]-3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid (1-ethoxycarbonyloxy)-ethyl ester

HCID 86646922

기본 정보

표준 SMILES
CCOC(=O)OCCOC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2
InChIKey
ADYSHVIHIHKYFT-MRXNPFEDSA-N
분자식
C28H32F6N4O8
평균 분자량
666.6 g/mol

이름 및 식별자

우선 이름
(R)-7-[3-tert-butoxycarbonylamino-4-(2,4,5-trifluoro-phenyl)-butyryl]-3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid (1-ethoxycarbonyloxy)-ethyl ester
IUPAC
2-ethoxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

이름 및 동의어

(R)-7-[3-tert-butoxycarbonylamino-4-(2,4,5-trifluoro-phenyl)-butyryl]-3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid (1-ethoxycarbonyloxy)-ethyl ester

데이터베이스 식별자

PubChem CID
86646922

물성

구조 계산 물성

XLogP
3.8
극성 표면적
138 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
15
회전 가능 결합 수
15
무거운 원자 수
46

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4건

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