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

Systemtic Name: 3-[3-[(3-azanyl-2-ethyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[3-[(3-amino-2-ethyl-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: 3-[3-[[(3-amino-2-ethylphenyl)-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: 3-[3-[(3-amino-2-ethylbenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[3-[(3-amino-2-ethyl-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1N)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSCC3C(=O)NCC4=CC=CC=C4C)O

Isomeric SMILES

CCC1=C(C=CC=C1N)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSCC3C(=O)NCC4=CC=CC=C4C)O

InChI

InChI=1S/C31H36N4O4S/c1-3-23-24(14-9-15-25(23)32)29(37)34-26(16-21-11-5-4-6-12-21)28(36)31(39)35-19-40-18-27(35)30(38)33-17-22-13-8-7-10-20(22)2/h4-15,26-28,36H,3,16-19,32H2,1-2H3,(H,33,38)(H,34,37)