3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]-2-methyl-pentanedioic acid

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]-2-methyl-pentanedioic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]acetyl]amino]-2-methyl-pentanedioic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-1-oxoethyl]amino]-2-methylpentanedioic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]-2-methylpentanedioic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]acetyl]amino]-2-methyl-glutaric acid Formula: C18H23N5O6 MolecularWeight: 405.40512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)O)NC(=O)CN1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC(C(CC(=O)O)NC(=O)CN1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C18H23N5O6/c1-10(17(27)28)13(8-15(25)26)21-14(24)9-22-6-7-23(18(22)29)12-4-2-11(3-5-12)16(19)20/h2-5,10,13H,6-9H2,1H3,(H3,19,20)(H,21,24)(H,25,26)(H,27,28)