(2S)-2-[[(2R)-2-azanyl-5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2R)-2-amino-5-[(4-nitrophenyl)methoxy]-5-oxo-pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2R)-2-amino-5-[(4-nitrophenyl)methoxy]-1,5-dioxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2R)-2-amino-5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2R)-2-amino-5-keto-5-(4-nitrobenzyl)oxy-pentanoyl]amino]propionic acid Formula: C15H19N3O7 MolecularWeight: 353.32726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@@H](CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C15H19N3O7/c1-9(15(21)22)17-14(20)12(16)6-7-13(19)25-8-10-2-4-11(5-3-10)18(23)24/h2-5,9,12H,6-8,16H2,1H3,(H,17,20)(H,21,22)/t9-,12+/m0/s1