3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoyl-N-methyl-anilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(4-carbamimidoyl-N-methylanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(4-amidino-N-methyl-anilino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)CCC(=O)NC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)CCC(=O)NC(CC(=O)O)C2=CC=CC=C2

InChI

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