5-[(4-carbamimidoylphenyl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-carbamimidoylphenyl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(4-carbamimidoylphenyl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(4-carbamimidoylphenyl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(4-carbamimidoylphenyl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(4-amidinobenzyl)amino]-5-keto-valeric acid Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCC(=O)O)C(=N)N

InChI

InChI=1S/C13H17N3O3/c14-13(15)10-6-4-9(5-7-10)8-16-11(17)2-1-3-12(18)19/h4-7H,1-3,8H2,(H3,14,15)(H,16,17)(H,18,19)