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

Systemtic Name: (3-azanylpyridin-2-yl) 2-(4-carbamimidoylphenyl)-2-methyl-3,6-bis(oxidanylidene)-6-phenylazanyl-hexanoate Openeye Name: (3-amino-2-pyridyl) 6-anilino-2-(4-carbamimidoylphenyl)-2-methyl-3,6-dioxo-hexanoate CAS Name: 6-anilino-2-(4-carbamimidoylphenyl)-2-methyl-3,6-dioxohexanoic acid (3-amino-2-pyridinyl) ester IUPAC Name: (3-aminopyridin-2-yl) 6-anilino-2-(4-carbamimidoylphenyl)-2-methyl-3,6-dioxohexanoate Traditional Name: 2-(4-amidinophenyl)-6-anilino-3,6-diketo-2-methyl-hexanoic acid (3-amino-2-pyridyl) ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=N)N)(C(=O)CCC(=O)NC2=CC=CC=C2)C(=O)OC3=C(C=CC=N3)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=N)N)(C(=O)CCC(=O)NC2=CC=CC=C2)C(=O)OC3=C(C=CC=N3)N

InChI

InChI=1S/C25H25N5O4/c1-25(17-11-9-16(10-12-17)22(27)28,24(33)34-23-19(26)8-5-15-29-23)20(31)13-14-21(32)30-18-6-3-2-4-7-18/h2-12,15H,13-14,26H2,1H3,(H3,27,28)(H,30,32)