2-azanyl-2-[(4-methoxyphenyl)sulfonylmethyl]-3-oxidanylidene-4-(2-phenylethanoylamino)butanoic acid

Systemtic Name: 2-azanyl-2-[(4-methoxyphenyl)sulfonylmethyl]-3-oxidanylidene-4-(2-phenylethanoylamino)butanoic acid Openeye Name: 2-amino-2-[(4-methoxyphenyl)sulfonylmethyl]-3-oxo-4-[(2-phenylacetyl)amino]butanoic acid CAS Name: 2-amino-2-[(4-methoxyphenyl)sulfonylmethyl]-3-oxo-4-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: 2-amino-2-[(4-methoxyphenyl)sulfonylmethyl]-3-oxo-4-[(2-phenylacetyl)amino]butanoic acid Traditional Name: 2-amino-3-keto-2-[(4-methoxyphenyl)sulfonylmethyl]-4-[(2-phenylacetyl)amino]butyric acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)CNC(=O)CC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)CNC(=O)CC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C20H22N2O7S/c1-29-15-7-9-16(10-8-15)30(27,28)13-20(21,19(25)26)17(23)12-22-18(24)11-14-5-3-2-4-6-14/h2-10H,11-13,21H2,1H3,(H,22,24)(H,25,26)