3-[3-[(2-ethyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: 3-[3-[(2-ethyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[3-[(2-ethyl-3-hydroxy-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: 3-[3-[[(2-ethyl-3-hydroxyphenyl)-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: 3-[3-[(2-ethyl-3-hydroxybenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[3-[(2-ethyl-3-hydroxy-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSCC3C(=O)NCC4=CC=CC=C4C)O

Isomeric SMILES

CCC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSCC3C(=O)NCC4=CC=CC=C4C)O

InChI

InChI=1S/C31H35N3O5S/c1-3-23-24(14-9-15-27(23)35)29(37)33-25(16-21-11-5-4-6-12-21)28(36)31(39)34-19-40-18-26(34)30(38)32-17-22-13-8-7-10-20(22)2/h4-15,25-26,28,35-36H,3,16-19H2,1-2H3,(H,32,38)(H,33,37)