6-azanyl-2-(3-azanylprop-2-ynyl)-2-(4-carbamimidoylphenyl)-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 6-azanyl-2-(3-azanylprop-2-ynyl)-2-(4-carbamimidoylphenyl)-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 6-amino-2-(3-aminoprop-2-ynyl)-2-(4-carbamimidoylphenyl)-3,6-dioxo-hexanoic acid CAS Name: 6-amino-2-(3-aminoprop-2-ynyl)-2-(4-carbamimidoylphenyl)-3,6-dioxohexanoic acid IUPAC Name: 6-amino-2-(3-aminoprop-2-ynyl)-2-(4-carbamimidoylphenyl)-3,6-dioxohexanoic acid Traditional Name: 2-(4-amidinophenyl)-5-amino-2-(4-amino-4-keto-butanoyl)pent-4-ynoic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(CC#CN)(C(=O)CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(CC#CN)(C(=O)CCC(=O)N)C(=O)O

InChI

InChI=1S/C16H18N4O4/c17-9-1-8-16(15(23)24,12(21)6-7-13(18)22)11-4-2-10(3-5-11)14(19)20/h2-5H,6-8,17H2,(H2,18,22)(H3,19,20)(H,23,24)