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

Systemtic Name: ethyl 2-[[1-[[2-ethanoylsulfanyl-2-(oxan-4-yl)ethanoyl]amino]cyclopentyl]carbonylamino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[1-[(2-acetylsulfanyl-2-tetrahydropyran-4-yl-acetyl)amino]cyclopentanecarbonyl]amino]-4-phenyl-butanoate CAS Name: 2-[[[1-[[2-(acetylthio)-2-(4-oxanyl)-1-oxoethyl]amino]cyclopentyl]-oxomethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-[[2-acetylsulfanyl-2-(oxan-4-yl)acetyl]amino]cyclopentanecarbonyl]amino]-4-phenylbutanoate Traditional Name: 2-[[1-[[2-(acetylthio)-2-tetrahydropyran-4-yl-acetyl]amino]cyclopentanecarbonyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C27H38N2O6S MolecularWeight: 518.66542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C(C3CCOCC3)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C(C3CCOCC3)SC(=O)C

InChI

InChI=1S/C27H38N2O6S/c1-3-35-25(32)22(12-11-20-9-5-4-6-10-20)28-26(33)27(15-7-8-16-27)29-24(31)23(36-19(2)30)21-13-17-34-18-14-21/h4-6,9-10,21-23H,3,7-8,11-18H2,1-2H3,(H,28,33)(H,29,31)