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

Systemtic Name: 3-[[4-[(4-carbamimidoyl-3-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoyl-3-methyl-anilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(4-carbamimidoyl-3-methylanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(4-carbamimidoyl-3-methylanilino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(4-amidino-3-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:

CC1=C(C=CC(=C1)NC(=O)CCC(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=N)N

InChI

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