3-[2-[[3-aminocarbonyloxy-2-[2-[2,3-bis(oxidanyl)propanoylamino]ethanoyl-methyl-amino]propanoyl]amino]propanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[[3-aminocarbonyloxy-2-[2-[2,3-bis(oxidanyl)propanoylamino]ethanoyl-methyl-amino]propanoyl]amino]propanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[2-[[3-carbamoyloxy-2-[[2-(2,3-dihydroxypropanoylamino)acetyl]-methyl-amino]propanoyl]amino]propanoylamino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[[3-carbamoyloxy-2-[[2-[(2,3-dihydroxy-1-oxopropyl)amino]-1-oxoethyl]-methylamino]-1-oxopropyl]amino]-1-oxopropyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[2-[[3-carbamoyloxy-2-[[2-(2,3-dihydroxypropanoylamino)acetyl]-methylamino]propanoyl]amino]propanoylamino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[2-[[3-carbamoyloxy-2-[[2-(glyceroylamino)acetyl]-methyl-amino]propanoyl]amino]propanoylamino]-2-keto-azetidine-1-sulfonic acid Formula: C16H26N6O12S MolecularWeight: 526.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CN(C1=O)S(=O)(=O)O)NC(=O)C(COC(=O)N)N(C)C(=O)CNC(=O)C(CO)O

Isomeric SMILES

CC(C(=O)NC1CN(C1=O)S(=O)(=O)O)NC(=O)C(COC(=O)N)N(C)C(=O)CNC(=O)C(CO)O

InChI

InChI=1S/C16H26N6O12S/c1-7(12(26)20-8-4-22(15(8)29)35(31,32)33)19-13(27)9(6-34-16(17)30)21(2)11(25)3-18-14(28)10(24)5-23/h7-10,23-24H,3-6H2,1-2H3,(H2,17,30)(H,18,28)(H,19,27)(H,20,26)(H,31,32,33)