(2R)-2-[[2-azanyl-4-[(4-nitrophenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: (2R)-2-[[2-azanyl-4-[(4-nitrophenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: (2R)-2-[[2-amino-4-[(4-nitrophenyl)methylamino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[2-amino-4-[(4-nitrophenyl)methylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: (2R)-2-[[2-amino-4-[(4-nitrophenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[2-amino-4-keto-4-[(4-nitrobenzyl)amino]butanoyl]amino]propionic acid Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC(=O)NCC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)C(CC(=O)NCC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C14H18N4O6/c1-8(14(21)22)17-13(20)11(15)6-12(19)16-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11H,6-7,15H2,1H3,(H,16,19)(H,17,20)(H,21,22)/t8-,11?/m1/s1