(2S)-2-[(3-nitrophenyl)methylcarbamoylamino]pentanoate

Systemtic Name: (2S)-2-[(3-nitrophenyl)methylcarbamoylamino]pentanoate Openeye Name: (2S)-2-[(3-nitrophenyl)methylcarbamoylamino]pentanoate CAS Name: (2S)-2-[[[(3-nitrophenyl)methylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-2-[(3-nitrophenyl)methylcarbamoylamino]pentanoate Traditional Name: (2S)-2-[(3-nitrobenzyl)carbamoylamino]valerate Formula: C13H16N3O5- MolecularWeight: 294.28324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-2-4-11(12(17)18)15-13(19)14-8-9-5-3-6-10(7-9)16(20)21/h3,5-7,11H,2,4,8H2,1H3,(H,17,18)(H2,14,15,19)/p-1/t11-/m0/s1