3-azanyl-4-[6-(4-carbamimidoylphenyl)hexanoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[6-(4-carbamimidoylphenyl)hexanoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-[6-(4-carbamimidoylphenyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[6-(4-carbamimidoylphenyl)-1-oxohexyl]-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[6-(4-carbamimidoylphenyl)hexanoyl-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[6-(4-amidinophenyl)hexanoyl-(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-3-amino-4-keto-butyric acid Formula: C26H32N4O6 MolecularWeight: 496.55548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CCCCCC2=CC=C(C=C2)C(=N)N)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CCCCCC2=CC=C(C=C2)C(=N)N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C26H32N4O6/c27-20(16-23(32)33)25(34)30(21(26(35)36)15-18-8-4-1-5-9-18)22(31)10-6-2-3-7-17-11-13-19(14-12-17)24(28)29/h1,4-5,8-9,11-14,20-21H,2-3,6-7,10,15-16,27H2,(H3,28,29)(H,32,33)(H,35,36)