2-azanyl-2-[1-[(4-carbamimidoylphenyl)amino]-1-phenyl-ethyl]-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 2-azanyl-2-[1-[(4-carbamimidoylphenyl)amino]-1-phenyl-ethyl]-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 2-amino-2-[1-(4-carbamimidoylanilino)-1-phenyl-ethyl]-3,6-dioxo-hexanoic acid CAS Name: 2-amino-2-[1-(4-carbamimidoylanilino)-1-phenylethyl]-3,6-dioxohexanoic acid IUPAC Name: 2-amino-2-[1-(4-carbamimidoylanilino)-1-phenylethyl]-3,6-dioxohexanoic acid Traditional Name: 2-[1-(4-amidinoanilino)-1-phenyl-ethyl]-2-amino-3,6-diketo-hexanoic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-20(15-6-3-2-4-7-15,21(24,19(28)29)17(27)8-5-13-26)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)