(2S)-3-(4-nitrophenyl)-2-[(2-phenylethanoylamino)methylamino]propanoic acid

Systemtic Name: (2S)-3-(4-nitrophenyl)-2-[(2-phenylethanoylamino)methylamino]propanoic acid Openeye Name: (2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid CAS Name: (2S)-3-(4-nitrophenyl)-2-[[(1-oxo-2-phenylethyl)amino]methylamino]propanoic acid IUPAC Name: (2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid Traditional Name: (2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propionic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCNC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCN[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H19N3O5/c22-17(11-13-4-2-1-3-5-13)20-12-19-16(18(23)24)10-14-6-8-15(9-7-14)21(25)26/h1-9,16,19H,10-12H2,(H,20,22)(H,23,24)/t16-/m0/s1