3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-(4-phenylmethoxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-(4-phenylmethoxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(4-benzyloxyphenyl)-2-[[methyl(methylcarbamoyl)carbamoyl]amino]acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[[[methyl(methylcarbamoyl)amino]-oxomethyl]amino]-1-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(4-benzoxyphenyl)-2-[[methyl(methylcarbamoyl)carbamoyl]amino]acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C22H25N5O8S MolecularWeight: 519.5276

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C(=O)NC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC3CN(C3=O)S(=O)(=O)O

Isomeric SMILES

CNC(=O)N(C)C(=O)NC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC3CN(C3=O)S(=O)(=O)O

InChI

InChI=1S/C22H25N5O8S/c1-23-21(30)26(2)22(31)25-18(19(28)24-17-12-27(20(17)29)36(32,33)34)15-8-10-16(11-9-15)35-13-14-6-4-3-5-7-14/h3-11,17-18H,12-13H2,1-2H3,(H,23,30)(H,24,28)(H,25,31)(H,32,33,34)