2-{2-[3-[3-(2-Methoxy-phenylsulfanyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

HCID 24987103

기본 정보

표준 SMILES
COc1ccccc1SCCCN(C(=O)Nc1ncc(SC(C)(C)C(=O)O)s1)C1CCC(C)CC1
InChIKey
PDYWZUOLPNGHCC-UHFFFAOYSA-N
분자식
C25H35N3O4S3
평균 분자량
537.8 g/mol

이름 및 식별자

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

이름 및 동의어

SCHEMBL2658167SCHEMBL2658170PDYWZUOLPNGHCC-IYARVYRRSA-N2-{2-[3-[3-(2-methoxy-phenylsulfanyl)-propyl]-3-(trans-4-methyl -cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid2-{2-[3-[3-(2-methoxy-phenylsulfanyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid2-{2-[3-[3-(2-methoxy-phenylsulfanyl)-propyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

데이터베이스 식별자

PubChem CID
24987103

물성

구조 계산 물성

XLogP
6.1
극성 표면적
171 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
11
무거운 원자 수
35

관련 반응

4건

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