4-oxidanylidene-3-[2-[2-oxidanylidene-3-(phenethylsulfonylamino)-6-(phenylmethyl)pyridin-1-yl]ethanoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(phenethylsulfonylamino)-6-(phenylmethyl)pyridin-1-yl]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[6-benzyl-2-oxo-3-(phenethylsulfonylamino)-1-pyridyl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-(phenethylsulfonylamino)-6-(phenylmethyl)-1-pyridinyl]ethyl]amino]butanoic acid IUPAC Name: 3-[[2-[6-benzyl-2-oxo-3-(phenethylsulfonylamino)pyridin-1-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[6-benzyl-2-keto-3-(phenethylsulfonylamino)-1-pyridyl]acetyl]amino]-4-keto-butyric acid Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NC(CC(=O)O)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NC(CC(=O)O)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O7S/c30-18-21(16-25(32)33)27-24(31)17-29-22(15-20-9-5-2-6-10-20)11-12-23(26(29)34)28-37(35,36)14-13-19-7-3-1-4-8-19/h1-12,18,21,28H,13-17H2,(H,27,31)(H,32,33)