(2S,3S)-2,3-bis(oxidanyl)-N,N'-bis[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]butanediamide

Systemtic Name: (2S,3S)-2,3-bis(oxidanyl)-N,N'-bis[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]butanediamide Openeye Name: (2S,3S)-N,N'-bis[1-benzyl-2-(benzylamino)-2-oxo-ethyl]-2,3-dihydroxy-butanediamide CAS Name: (2S,3S)-2,3-dihydroxy-N,N'-bis[1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]butanediamide IUPAC Name: (2S,3S)-N,N'-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroxybutanediamide Traditional Name: (2S,3S)-N,N'-bis[1-benzyl-2-(benzylamino)-2-keto-ethyl]-2,3-dihydroxy-succinamide Formula: C36H38N4O6 MolecularWeight: 622.71012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)C(C(C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C36H38N4O6/c41-31(35(45)39-29(21-25-13-5-1-6-14-25)33(43)37-23-27-17-9-3-10-18-27)32(42)36(46)40-30(22-26-15-7-2-8-16-26)34(44)38-24-28-19-11-4-12-20-28/h1-20,29-32,41-42H,21-24H2,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t29?,30?,31-,32-/m0/s1