3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methylpropanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[(4-amidinophenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC(=O)O)C1=CN=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C(=O)NC(CC(=O)O)C1=CN=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H24N6O4/c1-20(2,26-19(30)24-14-7-5-12(6-8-14)17(21)22)18(29)25-15(10-16(27)28)13-4-3-9-23-11-13/h3-9,11,15H,10H2,1-2H3,(H3,21,22)(H,25,29)(H,27,28)(H2,24,26,30)