3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-phosphono-butanoyl]-ethyl-amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-phosphono-butanoyl]-ethyl-amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2-aminothiazol-4-yl)-2-phosphono-butanoyl]-ethyl-amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(2-amino-4-thiazolyl)-1-oxo-2-phosphonobutyl]-ethylamino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2-amino-1,3-thiazol-4-yl)-2-phosphonobutanoyl]-ethylamino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(2-aminothiazol-4-yl)-2-phosphono-butanoyl]-ethyl-amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonic acid Formula: C14H21N4O10PS2 MolecularWeight: 500.441101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CSC(=N1)N)(C(=O)N(CC)C2C(N(C2=O)S(=O)(=O)O)C(=O)OC)P(=O)(O)O

Isomeric SMILES

CCC(C1=CSC(=N1)N)(C(=O)N(CC)C2C(N(C2=O)S(=O)(=O)O)C(=O)OC)P(=O)(O)O

InChI

InChI=1S/C14H21N4O10PS2/c1-4-14(29(22,23)24,7-6-30-13(15)16-7)12(21)17(5-2)8-9(11(20)28-3)18(10(8)19)31(25,26)27/h6,8-9H,4-5H2,1-3H3,(H2,15,16)(H2,22,23,24)(H,25,26,27)