3-[2-azanyl-4-(4-carbamimidoylphenyl)pyridin-3-yl]propanoyl 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-[2-azanyl-4-(4-carbamimidoylphenyl)pyridin-3-yl]propanoyl 4-azanyl-4-oxidanylidene-butanoate Openeye Name: 3-[2-amino-4-(4-carbamimidoylphenyl)-3-pyridyl]propanoyl 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [3-[2-amino-4-(4-carbamimidoylphenyl)-3-pyridinyl]-1-oxopropyl] ester IUPAC Name: 3-[2-amino-4-(4-carbamimidoylphenyl)pyridin-3-yl]propanoyl 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid 3-[4-(4-amidinophenyl)-2-amino-3-pyridyl]propanoyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NC=C2)N)CCC(=O)OC(=O)CCC(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NC=C2)N)CCC(=O)OC(=O)CCC(=O)N)C(=N)N

InChI

InChI=1S/C19H21N5O4/c20-15(25)6-8-17(27)28-16(26)7-5-14-13(9-10-24-19(14)23)11-1-3-12(4-2-11)18(21)22/h1-4,9-10H,5-8H2,(H2,20,25)(H3,21,22)(H2,23,24)