2-(2-azanylpyridin-3-yl)-2-[(4-carbamimidoylphenyl)methyl]-3,6-bis(oxidanylidene)-6-phenylazanyl-hexanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)C(CC2=CC=C(C=C2)C(=N)N)(C3=C(N=CC=C3)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)C(CC2=CC=C(C=C2)C(=N)N)(C3=C(N=CC=C3)N)C(=O)O

InChI

InChI=1S/C25H25N5O4/c26-22(27)17-10-8-16(9-11-17)15-25(24(33)34,19-7-4-14-29-23(19)28)20(31)12-13-21(32)30-18-5-2-1-3-6-18/h1-11,14H,12-13,15H2,(H3,26,27)(H2,28,29)(H,30,32)(H,33,34)