Epicillin

Epicillin
Clinical data
ATC code	J01CA07 (WHO) ;
Identifiers
	IUPAC name (2S,5R,6R)-6-[[(2R)-2-Amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
CAS Number	26774-90-3 ;
PubChem CID	71392;
ChemSpider	64486 ;
UNII	3LU1L73C8Y;
CompTox Dashboard (EPA)	DTXSID60181288 ;
ECHA InfoCard	100.043.623
Chemical and physical data
Formula	C16H21N3O4S
Molar mass	351.42 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](C/1=C/C\C=C/C\1)N)[C@H]3SC2(C)C;
	InChI InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 ; Key:RPBAFSBGYDKNRG-NJBDSQKTSA-N ;
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