3-[3-[(5-carbamimidoylpyridin-2-yl)carbonylamino]propanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[3-[(5-carbamimidoylpyridin-2-yl)carbonylamino]propanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-[3-[(5-carbamimidoylpyridine-2-carbonyl)amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-2-pyridinyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[3-[(5-carbamimidoylpyridine-2-carbonyl)amino]propanoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[3-[(5-amidinopicolinoyl)amino]propanoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C23H26N6O7 MolecularWeight: 498.48854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)C2=NC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)C2=NC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H26N6O7/c24-20(25)14-6-7-15(27-12-14)21(33)26-9-8-18(30)28-16(11-19(31)32)22(34)29-17(23(35)36)10-13-4-2-1-3-5-13/h1-7,12,16-17H,8-11H2,(H3,24,25)(H,26,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)