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biapenem

PropertiesImage
MNX_IDMNXM44232 Image of MNXM44232
referencechebi:3089
formulaC15H18N4O4S
global charge0
mol weight350.4
InChIKeyMRMBZHPJVKCOMA-YJFSRANCSA-N
InChIInChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3CN4C=NC=[N+]4C3)[C@H](C)[C@H]12
MNX internals
InChI (mnx)InChI=1/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1 Image of MNXM44232
SMILES (mnx)[CH3:1][C@@H:7]1[C@@H:11]2[C@@H:10]([C@@H:8]([CH3:2])[OH:20])[C:14](=[O:21])[N:19]2[C:12]([C:15](=[O:22])[O-:23])=[C:13]1[S:24][CH:9]1[CH2:3][N:17]2[CH:5]=[N:16][CH:6]=[N+:18]2[CH2:4]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:3089
chebi:3089
MRMBZHPJVKCOMA-YJFSRANCSA-N 		biapenem
(4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
(6S)-2-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylate
BIPM
Biapenem

seed.compound:cpd08130
seedM:cpd08130
sabiork.compound:13340
sabiorkM:13340
kegg.compound:C11268
keggC:C11268
MRMBZHPJVKCOMA-YJFSRANCSA-N 		Biapenem

kegg.drug:D01057
keggD:D01057
MRMBZHPJVKCOMA-YJFSRANCSA-N 		Biapenem (JAN/USAN/INN)
Omegacin (TN)

keggC:M_C11268
keggD:M_D01057
seedM:M_cpd08130 		secondary/obsolete/fantasy identifier