6-azanyl-2-(2-azanylpyridin-3-yl)-2-[(4-carbamimidoyl-3-methyl-phenyl)methyl]-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 6-azanyl-2-(2-azanylpyridin-3-yl)-2-[(4-carbamimidoyl-3-methyl-phenyl)methyl]-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 6-amino-2-(2-amino-3-pyridyl)-2-[(4-carbamimidoyl-3-methyl-phenyl)methyl]-3,6-dioxo-hexanoic acid CAS Name: 6-amino-2-(2-amino-3-pyridinyl)-2-[(4-carbamimidoyl-3-methylphenyl)methyl]-3,6-dioxohexanoic acid IUPAC Name: 6-amino-2-(2-aminopyridin-3-yl)-2-[(4-carbamimidoyl-3-methylphenyl)methyl]-3,6-dioxohexanoic acid Traditional Name: 2-(4-amidino-3-methyl-benzyl)-6-amino-2-(2-amino-3-pyridyl)-3,6-diketo-hexanoic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(C2=C(N=CC=C2)N)(C(=O)CCC(=O)N)C(=O)O)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)CC(C2=C(N=CC=C2)N)(C(=O)CCC(=O)N)C(=O)O)C(=N)N

InChI

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