(2-azanylpyridin-3-yl) 2-(4-carbamimidoylphenyl)-2-methyl-6-(methylamino)-3,6-bis(oxidanylidene)hexanoate

Systemtic Name: (2-azanylpyridin-3-yl) 2-(4-carbamimidoylphenyl)-2-methyl-6-(methylamino)-3,6-bis(oxidanylidene)hexanoate Openeye Name: (2-amino-3-pyridyl) 2-(4-carbamimidoylphenyl)-2-methyl-6-(methylamino)-3,6-dioxo-hexanoate CAS Name: 2-(4-carbamimidoylphenyl)-2-methyl-6-(methylamino)-3,6-dioxohexanoic acid (2-amino-3-pyridinyl) ester IUPAC Name: (2-aminopyridin-3-yl) 2-(4-carbamimidoylphenyl)-2-methyl-6-(methylamino)-3,6-dioxohexanoate Traditional Name: 2-(4-amidinophenyl)-3,6-diketo-2-methyl-6-(methylamino)hexanoic acid (2-amino-3-pyridyl) ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=N)N)(C(=O)CCC(=O)NC)C(=O)OC2=C(N=CC=C2)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=N)N)(C(=O)CCC(=O)NC)C(=O)OC2=C(N=CC=C2)N

InChI

InChI=1S/C20H23N5O4/c1-20(15(26)9-10-16(27)24-2,13-7-5-12(6-8-13)17(21)22)19(28)29-14-4-3-11-25-18(14)23/h3-8,11H,9-10H2,1-2H3,(H3,21,22)(H2,23,25)(H,24,27)