methyl 5-[[3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-4-phenyl-butyl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-4-phenyl-butyl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-oxo-4-phenyl-butyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxo-4-phenylbutyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxo-4-phenylbutyl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-keto-4-phenyl-butyl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C31H36N2O7S MolecularWeight: 580.69174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=C(O2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=C(O2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H36N2O7S/c1-21(2)16-26(33-31(37)39-18-23-12-8-5-9-13-23)29(35)32-25(17-22-10-6-4-7-11-22)27(34)20-41-19-24-14-15-28(40-24)30(36)38-3/h4-15,21,25-26H,16-20H2,1-3H3,(H,32,35)(H,33,37)