penicillin K
Chemical Formula:
C16H25N2O4S
Molecular Weight:
341.444 Daltons
Monoisotopic Mass:
342.1613280234 Daltons
SMILES:
CCCCCCCC(NC1(C(N2(C(C(=O)[O-])C(C)(C)S[CH]12))=O))=O
InChI:
1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1
InChIKey:
Synonyms
- octanoylpenicillin
- heptylpenicillin
Databases
MetaCyc:
CPD-9122
PubChem (CID):
102515200
Seed:
cpd17537
ChEBI:
81064
MetaNetX:
MNXM20337
KEGG:
C17403