2-azanyl-3-[(4-carbamimidoylphenyl)amino]-2-methyl-4,7-bis(oxidanylidene)-3-phenyl-heptanoic acid

Systemtic Name: 2-azanyl-3-[(4-carbamimidoylphenyl)amino]-2-methyl-4,7-bis(oxidanylidene)-3-phenyl-heptanoic acid Openeye Name: 2-amino-3-(4-carbamimidoylanilino)-2-methyl-4,7-dioxo-3-phenyl-heptanoic acid CAS Name: 2-amino-3-(4-carbamimidoylanilino)-2-methyl-4,7-dioxo-3-phenylheptanoic acid IUPAC Name: 2-amino-3-(4-carbamimidoylanilino)-2-methyl-4,7-dioxo-3-phenylheptanoic acid Traditional Name: 3-(4-amidinoanilino)-2-amino-4,7-diketo-2-methyl-3-phenyl-enanthic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(C(C1=CC=CC=C1)(C(=O)CCC=O)NC2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

CC(C(=O)O)(C(C1=CC=CC=C1)(C(=O)CCC=O)NC2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C21H24N4O4/c1-20(24,19(28)29)21(17(27)8-5-13-26,15-6-3-2-4-7-15)25-16-11-9-14(10-12-16)18(22)23/h2-4,6-7,9-13,25H,5,8,24H2,1H3,(H3,22,23)(H,28,29)