(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(4-nitrophenyl)propanoic acid CAS Name: (2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(4-nitrophenyl)propionic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C12H15N3O5/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(5-3-8)15(19)20/h2-5,7,10H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10+/m1/s1