2-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(4-phenyl-butyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid

HCID 24987104

기본 정보

표준 SMILES
CC1CCC(N(CCCCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1
InChIKey
ZWTGTJXGRFDOQB-UHFFFAOYSA-N
분자식
C25H35N3O3S2
평균 분자량
489.7 g/mol

이름 및 식별자

우선 이름
2-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(4-phenyl-butyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid
IUPAC
2-methyl-2-[[2-[[(4-methylcyclohexyl)-(4-phenylbutyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid

이름 및 동의어

SCHEMBL2658347SCHEMBL2658349ZWTGTJXGRFDOQB-KESTWPANSA-N2-methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(4-phenyl-butyl) -ureido]-thiazol-5-ylsulfanyl}-propionic acid2-methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(4-phenyl-butyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid2-methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(4-phenyl-butyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid

데이터베이스 식별자

PubChem CID
24987104

물성

구조 계산 물성

XLogP
6.2
극성 표면적
136 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
33

관련 반응

4건

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