(2S)-2-[(4-nitrophenyl)methylcarbamoylamino]pentanoic acid

Systemtic Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]pentanoic acid Openeye Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]pentanoic acid CAS Name: (2S)-2-[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]pentanoic acid Traditional Name: (2S)-2-[(4-nitrobenzyl)carbamoylamino]valeric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-2-3-11(12(17)18)15-13(19)14-8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,2-3,8H2,1H3,(H,17,18)(H2,14,15,19)/t11-/m0/s1