(s)-2-(4,4-Bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetic acid

HCID 87951373
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기본 정보

표준 SMILES
COc1cc(CN2C(=O)N([C@@H](CC(C)C)C(=O)O)C(=O)C2(C(F)(F)F)C(F)(F)F)ccc1NC(=O)Nc1ccccc1C
InChIKey
YPEIWTHLEYICKK-IBGZPJMESA-N
분자식
C27H28F6N4O6
평균 분자량
618.5 g/mol

이름 및 식별자

우선 이름
(s)-2-(4,4-Bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetic acid
IUPAC
(2S)-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid

이름 및 동의어

(s)-2-(4,4-bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetic acidSCHEMBL6165813(S)-2-(4,4-bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2, 5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetic acid

데이터베이스 식별자

PubChem CID
87951373

물성

구조 계산 물성

XLogP
5.1
극성 표면적
128 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
9
무거운 원자 수
43

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