3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid Openeye Name: 3-[[4-(4-carbamimidoyl-N-methyl-anilino)-4-oxo-butanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoyl-N-methylanilino)-1,4-dioxobutyl]amino]-3-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid Traditional Name: 3-[[4-(4-amidino-N-methyl-anilino)-4-keto-butanoyl]amino]-3-(1H-imidazol-2-yl)propionic acid Formula: C18H22N6O4 MolecularWeight: 386.40508

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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=NC=CN2

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)CCC(=O)NC(CC(=O)O)C2=NC=CN2

InChI

InChI=1S/C18H22N6O4/c1-24(12-4-2-11(3-5-12)17(19)20)15(26)7-6-14(25)23-13(10-16(27)28)18-21-8-9-22-18/h2-5,8-9,13H,6-7,10H2,1H3,(H3,19,20)(H,21,22)(H,23,25)(H,27,28)