3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-cyano-butanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-cyano-butanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-4-cyano-butanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-cyanobutanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-cyanobutanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-cyano-butyric acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC(CC#N)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC(CC#N)CC(=O)O

InChI

InChI=1S/C16H19N5O4/c17-8-7-12(9-15(24)25)21-14(23)6-5-13(22)20-11-3-1-10(2-4-11)16(18)19/h1-4,12H,5-7,9H2,(H3,18,19)(H,20,22)(H,21,23)(H,24,25)