2-[[3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-(1H-imidazol-5-ylmethyl)-2-(4-nitroanilino)-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(1H-imidazol-5-yl)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1H-imidazol-5-yl)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(1H-imidazol-5-ylmethyl)-2-keto-2-(4-nitroanilino)ethyl]amino]-4-methyl-valeric acid Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CN=CN1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CN=CN1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c1-11(2)7-16(18(25)26)22-15(8-13-9-19-10-20-13)17(24)21-12-3-5-14(6-4-12)23(27)28/h3-6,9-11,15-16,22H,7-8H2,1-2H3,(H,19,20)(H,21,24)(H,25,26)