Ethyl (s)-3-((s)-2-(4,4-bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-phenylpropionate

HCID 91066696
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)C(C(F)(F)F)(C(F)(F)F)C1=O)c1ccccc1
InChIKey
ZXNJHSUGEGVQGF-VMPREFPWSA-N
분자식
C38H41F6N5O7
평균 분자량
793.8 g/mol

이름 및 식별자

우선 이름
Ethyl (s)-3-((s)-2-(4,4-bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-phenylpropionate
IUPAC
ethyl (3S)-3-[[(2S)-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoate

이름 및 동의어

ethyl (s)-3-((s)-2-(4,4-bis(trifluoromethyl)-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-phenylpropionate

데이터베이스 식별자

PubChem CID
91066696

물성

구조 계산 물성

XLogP
6.6
극성 표면적
146 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
15
무거운 원자 수
56

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