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

Systemtic Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-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-[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)amino]-4-oxobutanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[4-(4-amidinophenyl)butylcarbamoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C25H31N5O6 MolecularWeight: 497.54354

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

InChI

InChI=1S/C25H31N5O6/c26-22(27)18-11-9-16(10-12-18)6-4-5-13-28-25(36)30-19(15-21(31)32)23(33)29-20(24(34)35)14-17-7-2-1-3-8-17/h1-3,7-12,19-20H,4-6,13-15H2,(H3,26,27)(H,29,33)(H,31,32)(H,34,35)(H2,28,30,36)