2-[[[4-[(4-carbamimidoyl-3-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-phenyl-methyl]butanoic acid

Systemtic Name: 2-[[[4-[(4-carbamimidoyl-3-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-phenyl-methyl]butanoic acid Openeye Name: 2-[[[4-(4-carbamimidoyl-3-methyl-anilino)-4-oxo-butanoyl]amino]-phenyl-methyl]butanoic acid CAS Name: 2-[[[4-(4-carbamimidoyl-3-methylanilino)-1,4-dioxobutyl]amino]-phenylmethyl]butanoic acid IUPAC Name: 2-[[[4-(4-carbamimidoyl-3-methylanilino)-4-oxobutanoyl]amino]-phenylmethyl]butanoic acid Traditional Name: 2-[[[4-(4-amidino-3-methyl-anilino)-4-keto-butanoyl]amino]-phenyl-methyl]butyric acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-3-17(23(30)31)21(15-7-5-4-6-8-15)27-20(29)12-11-19(28)26-16-9-10-18(22(24)25)14(2)13-16/h4-10,13,17,21H,3,11-12H2,1-2H3,(H3,24,25)(H,26,28)(H,27,29)(H,30,31)