HE0

(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid


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Chemical Component Summary

Name(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SynonymsPenicillin analog, bound/open form
Identifiers(2R,4S)-2-[(1R)-1-[[(6S)-6-(2-azanylethanoylamino)-7-oxidanyl-7-oxidanylidene-heptanoyl]amino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
FormulaC17 H28 N4 O7 S
Molecular Weight432.492
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C
InChIInChI=1S/C17H28N4O7S/c1-17(2)13(16(27)28)21-14(29-17)10(8-22)20-11(23)6-4-3-5-9(15(25)26)19-12(24)7-18/h8-10,13-14,21H,3-7,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H,27,28)/t9-,10+,13-,14+/m0/s1
InChIKeyGWAZTQMEPPXKKK-GIFSMMMISA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count4
Bond Count57
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 137349504