(2S)-2-[(3,5-dinitrophenyl)methoxycarbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(3,5-dinitrophenyl)methoxycarbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(3,5-dinitrophenyl)methoxycarbonylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(3,5-dinitrophenyl)methoxy-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(3,5-dinitrophenyl)methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(3,5-dinitrobenzyl)oxycarbonylamino]-4-methyl-valeric acid Formula: C14H17N3O8 MolecularWeight: 355.30008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O8/c1-8(2)3-12(13(18)19)15-14(20)25-7-9-4-10(16(21)22)6-11(5-9)17(23)24/h4-6,8,12H,3,7H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1