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

Systemtic Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[[[methyl(methylcarbamoyl)amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenyl-acetyl]amino]azetidine-1-sulfonic acid Formula: C15H19N5O7S MolecularWeight: 413.40566

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C(=O)NC(C1=CC=CC=C1)C(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CNC(=O)N(C)C(=O)NC(C1=CC=CC=C1)C(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C15H19N5O7S/c1-16-14(23)19(2)15(24)18-11(9-6-4-3-5-7-9)12(21)17-10-8-20(13(10)22)28(25,26)27/h3-7,10-11H,8H2,1-2H3,(H,16,23)(H,17,21)(H,18,24)(H,25,26,27)