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

Systemtic Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-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-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-4-oxo-butanoic acid CAS Name: 3-[[[4-(4-carbamimidoylphenyl)butylamino]-oxomethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-methylamino]-4-oxobutanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-methylamino]-4-oxobutanoic acid Traditional Name: 3-[4-(4-amidinophenyl)butylcarbamoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)-methyl-amino]-4-keto-butyric acid Formula: C26H33N5O6 MolecularWeight: 511.57012

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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)NCCCCC2=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)NCCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H33N5O6/c1-31(21(25(35)36)15-18-8-3-2-4-9-18)24(34)20(16-22(32)33)30-26(37)29-14-6-5-7-17-10-12-19(13-11-17)23(27)28/h2-4,8-13,20-21H,5-7,14-16H2,1H3,(H3,27,28)(H,32,33)(H,35,36)(H2,29,30,37)