2-{2-[3-[2-(4-Methoxy-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid (HCID 24987105)

기본 정보

표준 SMILES: COc1ccc(CCN(C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)C2CCC(C)CC2)cc1
InChIKey: FBGDNZFBCRAJMD-UHFFFAOYSA-N
분자식: C24H33N3O4S2
평균 분자량: 491.7 g/mol

이름 및 식별자

우선 이름: 2-{2-[3-[2-(4-Methoxy-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid
IUPAC: 2-[[2-[[2-(4-methoxyphenyl)ethyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]-2-methylpropanoic acid

이름 및 동의어

SCHEMBL2658972SCHEMBL2658974FBGDNZFBCRAJMD-SAABIXHNSA-N2-{2-[3-[2-(4-methoxy-phenyl) -ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid2-{2-[3-[2-(4-Methoxy-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

데이터베이스 식별자

PubChem CID: 24987105

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 145 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 9
무거운 원자 수: 33
형식 전하: 0
복잡도: 650

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