2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(4-nitrophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(4-nitrobenzyl)imidazol-4-yl]propionic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H26N4O5/c1-13(2)8-18(14(3)25)22-19(20(26)27)9-17-10-21-12-23(17)11-15-4-6-16(7-5-15)24(28)29/h4-7,10,12-13,18-19,22H,8-9,11H2,1-3H3,(H,26,27)