[2-azanyl-2-(4-carbamimidoylphenyl)-3-(1H-pyrazol-5-yl)propanoyl] 4-azanyl-4-oxidanylidene-but-2-ynoate

Systemtic Name: [2-azanyl-2-(4-carbamimidoylphenyl)-3-(1H-pyrazol-5-yl)propanoyl] 4-azanyl-4-oxidanylidene-but-2-ynoate Openeye Name: [2-amino-2-(4-carbamimidoylphenyl)-3-(1H-pyrazol-5-yl)propanoyl] 4-amino-4-oxo-but-2-ynoate CAS Name: 4-amino-4-oxo-2-butynoic acid [2-amino-2-(4-carbamimidoylphenyl)-1-oxo-3-(1H-pyrazol-5-yl)propyl] ester IUPAC Name: [2-amino-2-(4-carbamimidoylphenyl)-3-(1H-pyrazol-5-yl)propanoyl] 4-amino-4-oxobut-2-ynoate Traditional Name: 4-amino-4-keto-but-2-ynoic acid [2-(4-amidinophenyl)-2-amino-3-(1H-pyrazol-5-yl)propanoyl] ester Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(CC2=CC=NN2)(C(=O)OC(=O)C#CC(=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(CC2=CC=NN2)(C(=O)OC(=O)C#CC(=O)N)N

InChI

InChI=1S/C17H16N6O4/c18-13(24)5-6-14(25)27-16(26)17(21,9-12-7-8-22-23-12)11-3-1-10(2-4-11)15(19)20/h1-4,7-8H,9,21H2,(H2,18,24)(H3,19,20)(H,22,23)