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

Systemtic Name: 2-azido-3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 2-azido-3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenyl-acetyl]amino]-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-azido-3-[[2-[[[methyl(methylcarbamoyl)amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-1-azetidinesulfonic acid IUPAC Name: 2-azido-3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetyl]amino]-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-azido-4-keto-3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-phenyl-acetyl]amino]azetidine-1-sulfonic acid Formula: C15H18N8O7S MolecularWeight: 454.41782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C(=O)NC(C1=CC=CC=C1)C(=O)NC2C(N(C2=O)S(=O)(=O)O)N=[N+]=[N-]

Isomeric SMILES

CNC(=O)N(C)C(=O)NC(C1=CC=CC=C1)C(=O)NC2C(N(C2=O)S(=O)(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C15H18N8O7S/c1-17-14(26)22(2)15(27)19-9(8-6-4-3-5-7-8)12(24)18-10-11(20-21-16)23(13(10)25)31(28,29)30/h3-7,9-11H,1-2H3,(H,17,26)(H,18,24)(H,19,27)(H,28,29,30)