ethyl 2-[[1-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: ethyl 2-[[1-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: ethyl 2-[[1-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: 2-[[[1-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(2-acetylsulfanyl-3-methylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: 2-[[1-[[2-(acetylthio)-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C25H36N2O6S MolecularWeight: 492.62814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC)NC(=O)C2(CCCC2)NC(=O)C(C(C)C)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC)NC(=O)C2(CCCC2)NC(=O)C(C(C)C)SC(=O)C

InChI

InChI=1S/C25H36N2O6S/c1-6-33-23(30)20(15-18-9-11-19(32-5)12-10-18)26-24(31)25(13-7-8-14-25)27-22(29)21(16(2)3)34-17(4)28/h9-12,16,20-21H,6-8,13-15H2,1-5H3,(H,26,31)(H,27,29)