2,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid

HCID 24989308
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기본 정보

표준 SMILES
Cc1ccccc1COCCN(C(=O)Nc1ncc(SCC(C)(C)C(=O)O)s1)C1CCC(C)CC1
InChIKey
WDZQROSDCVFJKO-UHFFFAOYSA-N
분자식
C26H37N3O4S2
평균 분자량
519.7 g/mol

이름 및 식별자

우선 이름
2,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid
IUPAC
2,2-dimethyl-3-[[2-[[(4-methylcyclohexyl)-[2-[(2-methylphenyl)methoxy]ethyl]carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid

이름 및 동의어

SCHEMBL1241399SCHEMBL2657006WDZQROSDCVFJKO-XGAFWQRZSA-N2,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl) -ureido]-thiazol-5-ylsulfanyl}-propionic acid2,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid2,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid

데이터베이스 식별자

PubChem CID
24989308

물성

구조 계산 물성

XLogP
5.5
극성 표면적
145 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
35

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