5-Cyclohex-1-enyl-3-[{trans-4-(1-methoxycarbonyl-2-methyl-propylcarbamoyloxy)-cyclohexyl}-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid (HCID 11963232)

기본 정보

표준 SMILES: COC(=O)C(NC(=O)OC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(C3=CCCCC3)sc2C(=O)O)CC1)C(C)C
InChIKey: PFOHWPCBSUQTAS-UHFFFAOYSA-N
분자식: C32H46N2O7S
평균 분자량: 602.8 g/mol

이름 및 식별자

우선 이름: 5-Cyclohex-1-enyl-3-[{trans-4-(1-methoxycarbonyl-2-methyl-propylcarbamoyloxy)-cyclohexyl}-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
IUPAC: 5-(cyclohexen-1-yl)-3-[[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyloxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

이름 및 동의어

SCHEMBL2106111SCHEMBL2106113SCHEMBL2611978PFOHWPCBSUQTAS-XBDMCMFZSA-N5-cyclohex-1-enyl-3-[{trans-4-(1-methoxycarbonyl-2-methyl-propylcarbamoyloxy)-cyclohexyl}-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid

데이터베이스 식별자

PubChem CID: 11963232

물성

구조 계산 물성

XLogP: 7.2
극성 표면적: 150 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 42
형식 전하: 0
복잡도: 1,000

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