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Quinupristin-dalfopristin

PropertiesImageOccurences in reactions
MNX_IDMNXM160750Image of MNXM160750
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC87H117N13O19S2
charge0
mass1711.80301
referencechebi:8733
InChIKeyPPKJUHVNTMYXOD-HVWWIRKTSA-N
InChIInChI=1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35?,37-,38+,39?,40+,43-,44+,45+;24-,25-,28-,31?,32-/m11/s1
SMILESCCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)C12.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O
Parent-child relations graph
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd05020
seedM:cpd05020
CHEBI:8733
chebi:8733
kegg.compound:C08034
keggC:C08034
Quinupristin-dalfopristin
kegg.drug:D00854
keggD:D00854
Quinupristin and dalfopristin
ABBR Q-D
Synercid (TN)
keggC:M_C08034
keggD:M_D00854
seedM:M_cpd05020
secondary/obsolete/fantasy identifier