XD2

(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid


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Chemical Component Summary

Name(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SynonymsCefamandole, bound form
Identifiers(2R)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-[(1R)-2-oxidanylidene-1-[[(2R)-2-oxidanyl-2-phenyl-ethanoyl]amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
FormulaC18 H20 N6 O5 S2
Molecular Weight464.519
TypeNON-POLYMER
Isomeric SMILESCn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O
InChIInChI=1S/C18H20N6O5S2/c1-24-18(21-22-23-24)31-9-11-8-30-16(20-13(11)17(28)29)12(7-25)19-15(27)14(26)10-5-3-2-4-6-10/h2-7,12,14,16,20,26H,8-9H2,1H3,(H,19,27)(H,28,29)/t12-,14-,16-/m1/s1
InChIKeyCTWPBVTUYYLUGC-XNRPHZJLSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count3
Bond Count53
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 137350157