(2S,3S)-3-methyl-2-[2-(2-nitrophenyl)ethanoylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[2-(2-nitrophenyl)ethanoylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[2-(2-nitrophenyl)-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]valeric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-9(2)13(14(18)19)15-12(17)8-10-6-4-5-7-11(10)16(20)21/h4-7,9,13H,3,8H2,1-2H3,(H,15,17)(H,18,19)/t9-,13-/m0/s1