3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]propionic acid Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CC(=O)NCCC(=O)O

InChI

InChI=1S/C15H17N5O4/c16-14(17)10-1-3-11(4-2-10)20-8-7-19(15(20)24)9-12(21)18-6-5-13(22)23/h1-4,7-8H,5-6,9H2,(H3,16,17)(H,18,21)(H,22,23)