ethyl 2-[[1-[[2-ethanoylsulfanyl-3-(oxan-4-yl)propanoyl]amino]cyclopentyl]carbonylamino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[1-[[2-ethanoylsulfanyl-3-(oxan-4-yl)propanoyl]amino]cyclopentyl]carbonylamino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[1-[(2-acetylsulfanyl-3-tetrahydropyran-4-yl-propanoyl)amino]cyclopentanecarbonyl]amino]-4-phenyl-butanoate CAS Name: 2-[[[1-[[2-(acetylthio)-3-(4-oxanyl)-1-oxopropyl]amino]cyclopentyl]-oxomethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-[[2-acetylsulfanyl-3-(oxan-4-yl)propanoyl]amino]cyclopentanecarbonyl]amino]-4-phenylbutanoate Traditional Name: 2-[[1-[[2-(acetylthio)-3-tetrahydropyran-4-yl-propanoyl]amino]cyclopentanecarbonyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C28H40N2O6S MolecularWeight: 532.692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C(CC3CCOCC3)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C(CC3CCOCC3)SC(=O)C

InChI

InChI=1S/C28H40N2O6S/c1-3-36-26(33)23(12-11-21-9-5-4-6-10-21)29-27(34)28(15-7-8-16-28)30-25(32)24(37-20(2)31)19-22-13-17-35-18-14-22/h4-6,9-10,22-24H,3,7-8,11-19H2,1-2H3,(H,29,34)(H,30,32)