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epicillin

PropertiesImage
MNX_IDMNXM52302 Image of MNXM52302
referencechebi:58974
formulaC16H21N3O4S
global charge0
mol weight351.428
InChIKeyRPBAFSBGYDKNRG-NJBDSQKTSA-N
InChIInChI=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
SMILESCC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(=O)O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM52302
SMILES (mnx)[CH3:1][C:16]1([CH3:2])[C@H:11]([C:15](=[O:22])[OH:23])[N:19]2[C:13](=[O:21])[C@@H:10]([N:18]=[C:12]([C@@H:9]([C:8]3=[CH:7][CH2:5][CH:3]=[CH:4][CH2:6]3)[NH2:17])[OH:20])[C@H:14]2[S:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58974
chebi:58974
RPBAFSBGYDKNRG-NJBDSQKTSA-N 		epicillin
6beta-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
Dexacillin
Dihydroampicillin
epicilina
epicilline
epicillinum

sabiork.compound:25110
sabiorkM:25110
RPBAFSBGYDKNRG-NJBDSQKTSA-N 		Epicillin

kegg.drug:D04020
keggD:D04020
RPBAFSBGYDKNRG-NJBDSQKTSA-N 		Epicillin (USAN/INN)
Dexacillin (TN)

keggD:M_D04020 		secondary/obsolete/fantasy identifier