2-[[(2S)-2-[(2,4-dinitrophenyl)amino]-4-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(2,4-dinitrophenyl)amino]-4-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(2,4-dinitroanilino)-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(2,4-dinitroanilino)-4-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-(2,4-dinitroanilino)-4-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(2,4-dinitroanilino)-4-methyl-pentanoyl]amino]acetic acid Formula: C14H18N4O7 MolecularWeight: 354.31532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O7/c1-8(2)5-11(14(21)15-7-13(19)20)16-10-4-3-9(17(22)23)6-12(10)18(24)25/h3-4,6,8,11,16H,5,7H2,1-2H3,(H,15,21)(H,19,20)/t11-/m0/s1