N-[(2S)-3-[3-(4-nitrophenyl)propanoylamino]-1-oxidanylidene-1-phenylazanyl-propan-2-yl]naphthalene-1-carboxamide

Systemtic Name: N-[(2S)-3-[3-(4-nitrophenyl)propanoylamino]-1-oxidanylidene-1-phenylazanyl-propan-2-yl]naphthalene-1-carboxamide Openeye Name: N-[(1S)-2-anilino-1-[[3-(4-nitrophenyl)propanoylamino]methyl]-2-oxo-ethyl]naphthalene-1-carboxamide CAS Name: N-[(2S)-1-anilino-3-[[3-(4-nitrophenyl)-1-oxopropyl]amino]-1-oxopropan-2-yl]-1-naphthalenecarboxamide IUPAC Name: N-[(2S)-1-anilino-3-[3-(4-nitrophenyl)propanoylamino]-1-oxopropan-2-yl]naphthalene-1-carboxamide Traditional Name: N-[(1S)-2-anilino-2-keto-1-[[3-(4-nitrophenyl)propanoylamino]methyl]ethyl]-1-naphthamide Formula: C29H26N4O5 MolecularWeight: 510.54054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CNC(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](CNC(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H26N4O5/c34-27(18-15-20-13-16-23(17-14-20)33(37)38)30-19-26(29(36)31-22-9-2-1-3-10-22)32-28(35)25-12-6-8-21-7-4-5-11-24(21)25/h1-14,16-17,26H,15,18-19H2,(H,30,34)(H,31,36)(H,32,35)/t26-/m0/s1