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

Systemtic Name: 3-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: 3-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: 3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CSCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)O)C)O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CSCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)O)C)O

InChI

InChI=1S/C30H33N3O5S/c1-19-9-6-7-12-22(19)16-31-29(37)25-17-39-18-33(25)30(38)27(35)24(15-21-10-4-3-5-11-21)32-28(36)23-13-8-14-26(34)20(23)2/h3-14,24-25,27,34-35H,15-18H2,1-2H3,(H,31,37)(H,32,36)