3-[2-azanyl-4-(4-carbamimidoylphenyl)-5-methyl-pyridin-3-yl]propanoyl 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-[2-azanyl-4-(4-carbamimidoylphenyl)-5-methyl-pyridin-3-yl]propanoyl 4-azanyl-4-oxidanylidene-butanoate Openeye Name: 3-[2-amino-4-(4-carbamimidoylphenyl)-5-methyl-3-pyridyl]propanoyl 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [3-[2-amino-4-(4-carbamimidoylphenyl)-5-methyl-3-pyridinyl]-1-oxopropyl] ester IUPAC Name: 3-[2-amino-4-(4-carbamimidoylphenyl)-5-methylpyridin-3-yl]propanoyl 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid 3-[4-(4-amidinophenyl)-2-amino-5-methyl-3-pyridyl]propanoyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1C2=CC=C(C=C2)C(=N)N)CCC(=O)OC(=O)CCC(=O)N)N

Isomeric SMILES

CC1=CN=C(C(=C1C2=CC=C(C=C2)C(=N)N)CCC(=O)OC(=O)CCC(=O)N)N

InChI

InChI=1S/C20H23N5O4/c1-11-10-25-20(24)14(6-8-16(27)29-17(28)9-7-15(21)26)18(11)12-2-4-13(5-3-12)19(22)23/h2-5,10H,6-9H2,1H3,(H2,21,26)(H3,22,23)(H2,24,25)