Chemical Component Summary

NameNITROCEFIN ACYL-SERINE
Identifiers(2R)-2-[(1R)-2-[(2S)-2-amino-3-oxido-3-oxo-propoxy]-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
FormulaC24 H21 N5 O11 S2
Molecular Weight619.58
TypeL-PEPTIDE LINKING
Isomeric SMILESc1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N
InChIInChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
InChIKeyGPHOELDACAWWAE-DEKCOHRESA-L

Chemical Details

Formal Charge-2
Atom Count63
Chiral Atom Count3
Bond Count65
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB04041 
NameNitrocefin Acyl-Serine
Groups experimental
SynonymsNitrocefin Acyl-Serine

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactam-inducible penicillin-binding proteinMKKIKIVPLILIVVVVGFGIYFYASKDKEINNTIDAIEDKNFKQVYKDSS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 131704267, 49867364