이름: 3-[(cis-3-benzyloxy-cyclobutyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl ester
IUPAC: methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-(3-phenylmethoxycyclobutyl)amino]thiophene-2-carboxylate
SMILES:
COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)[C@H]1C[C@@H](OCc2ccccc2)C1Canonical SMILES:
CC1CCC(CC1)C(=O)N(C2CC(C2)OCC3=CC=CC=C3)C4=C(SC(=C4)C#CC(C)(C)C)C(=O)OC분자식: C31H39NO4S
분자량: 521.70
InChIKey: MRWPAIKRNXQPPV-UHFFFAOYSA-N
InChI:
PubChem CID: 58114004 →InChI=1S/C31H39NO4S/c1-21-11-13-23(14-12-21)29(33)32(24-17-25(18-24)36-20-22-9-7-6-8-10-22)27-19-26(15-16-31(2,3)4)37-28(27)30(34)35-5/h6-10,19,21,23-25H,11-14,17-18,20H2,1-5H3동의어
SCHEMBL937119SCHEMBL937120SCHEMBL937121SCHEMBL937280SCHEMBL9931927SCHEMBL9932033SCHEMBL9932037MRWPAIKRNXQPPV-IHHNXAOZSA-NMRWPAIKRNXQPPV-OROJTEOXSA-NMRWPAIKRNXQPPV-QWZLJSJVSA-NMRWPAIKRNXQPPV-ZKXXNWRKSA-N3-[(cis-3-benzyloxy-cyclobutyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl ester3-[(trans-3-benzyloxy-cyclobutyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl estercis-3-[(3-benzyloxy-cyclobutyl)-(4-methyl-cyclohexanecarbonyl)-amino]-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl estertrans-3-[(3-benzyloxy-cyclobutyl)-(4-methyl-cyclohexanecarbonyl)-amino]-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl ester
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