2-azanyl-4-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxo-butanoic acid CAS Name: 2-amino-4-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: 2-amino-4-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxobutanoic acid Traditional Name: 4-[5-(4-amidinophenyl)pentanoylamino]-2-amino-4-keto-butyric acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)NC(=O)CC(C(=O)O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)NC(=O)CC(C(=O)O)N)C(=N)N

InChI

InChI=1S/C16H22N4O4/c17-12(16(23)24)9-14(22)20-13(21)4-2-1-3-10-5-7-11(8-6-10)15(18)19/h5-8,12H,1-4,9,17H2,(H3,18,19)(H,23,24)(H,20,21,22)