N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-[(4-ethanoylphenyl)carbamoylamino]-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-[(4-ethanoylphenyl)carbamoylamino]-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: 3-[(4-acetylphenyl)carbamoylamino]-N-(2-amino-1-benzyl-2-oxo-ethyl)-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: 3-[[(4-acetylanilino)-oxomethyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: 3-[(4-acetylphenyl)carbamoylamino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: 3-[(4-acetylphenyl)carbamoylamino]-N-(2-amino-1-benzyl-2-keto-ethyl)-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)NC2C=C(CC(C2O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)NC2C=C(CC(C2O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C25H28N4O6/c1-14(30)16-7-9-18(10-8-16)27-25(35)29-19-12-17(13-21(31)22(19)32)24(34)28-20(23(26)33)11-15-5-3-2-4-6-15/h2-10,12,19-22,31-32H,11,13H2,1H3,(H2,26,33)(H,28,34)(H2,27,29,35)