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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NC=CN1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC(C(C1=NC=CN1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

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