3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[methyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[methyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-methyl-amino]-3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-methylamino]-4-oxobutanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-methylamino]-4-oxobutanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)-methyl-amino]-4-keto-butyric acid Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H32N4O6/c1-30(21(26(35)36)15-18-8-3-2-4-9-18)25(34)20(16-23(32)33)29-22(31)10-6-5-7-17-11-13-19(14-12-17)24(27)28/h2-4,8-9,11-14,20-21H,5-7,10,15-16H2,1H3,(H3,27,28)(H,29,31)(H,32,33)(H,35,36)