N-tert-butyl-3-[3-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: N-tert-butyl-3-[3-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide Openeye Name: N-tert-butyl-3-[2-hydroxy-3-[(2-methyl-3,5-dinitro-benzoyl)amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide CAS Name: N-tert-butyl-3-[2-hydroxy-3-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide IUPAC Name: N-tert-butyl-3-[2-hydroxy-3-[(2-methyl-3,5-dinitrobenzoyl)amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide Traditional Name: N-tert-butyl-3-[2-hydroxy-3-[(2-methyl-3,5-dinitro-benzoyl)amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide Formula: C26H31N5O8S MolecularWeight: 573.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSCC3C(=O)NC(C)(C)C)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSCC3C(=O)NC(C)(C)C)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O8S/c1-15-18(11-17(30(36)37)12-20(15)31(38)39)23(33)27-19(10-16-8-6-5-7-9-16)22(32)25(35)29-14-40-13-21(29)24(34)28-26(2,3)4/h5-9,11-12,19,21-22,32H,10,13-14H2,1-4H3,(H,27,33)(H,28,34)