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cefcapene

PropertiesImage
MNX_IDMNXM736478 Image of MNXM736478
referencechebi:131729
formulaC17H19N5O6S2
global charge0
mol weight453.502
InChIKeyHJJRIJDTIPFROI-NVKITGPLSA-N
InChIInChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1
SMILESCC/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)C1=CSC(N)=N1
MNX internals
InChI (mnx)InChI=1/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1 Image of MNXM736478
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[C:8]([C:9]1=[CH:6][S:30][C:16](=[NH:18])[NH:20]1)\[C:12](=[N:21]\[C@@H:10]1[C:13](=[O:24])[N:22]2[C:11]([C:15](=[O:25])[OH:26])=[C:7]([CH2:4][O:28][C:17](=[NH:19])[OH:27])[CH2:5][S:29][C@H:14]12)[OH:23]
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:131729
chebi:131729
HJJRIJDTIPFROI-NVKITGPLSA-N 		cefcapene
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CFPN
cefcapeno
cefcapenum

sabiork.compound:21375
sabiorkM:21375
HJJRIJDTIPFROI-NVKITGPLSA-N 		Cefcapene

kegg.drug:D07638
keggD:D07638
HJJRIJDTIPFROI-NVKITGPLSA-N 		Cefcapene (INN)

kegg.compound:C21547
keggC:C21547
HJJRIJDTIPFROI-NVKITGPLSA-N 		Cefcapene
CFPN

keggC:M_C21547
keggD:M_D07638 		secondary/obsolete/fantasy identifier