6-azanyl-2-[(E)-3-azanylprop-2-enyl]-2-(4-carbamimidoylphenyl)-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 6-azanyl-2-[(E)-3-azanylprop-2-enyl]-2-(4-carbamimidoylphenyl)-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 6-amino-2-[(E)-3-aminoallyl]-2-(4-carbamimidoylphenyl)-3,6-dioxo-hexanoic acid CAS Name: 6-amino-2-[(E)-3-aminoprop-2-enyl]-2-(4-carbamimidoylphenyl)-3,6-dioxohexanoic acid IUPAC Name: 6-amino-2-[(E)-3-aminoprop-2-enyl]-2-(4-carbamimidoylphenyl)-3,6-dioxohexanoic acid Traditional Name: (E)-2-(4-amidinophenyl)-5-amino-2-(4-amino-4-keto-butanoyl)pent-4-enoic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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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(C/C=C/N)(C(=O)CCC(=O)N)C(=O)O

InChI

InChI=1S/C16H20N4O4/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/h1-5,9H,6-8,17H2,(H2,18,22)(H3,19,20)(H,23,24)/b9-1+