Compound ID | 142

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Surotomycin, CB-183,315

Class: Lipopeptide

Spectrum of activity: Gram-positive
Details of activity: C. difficile-associated diarrhea
Institute where first reported: Cubist Pharmaceuticals (Merck), USA
Year first mentioned: 2011
Highest developmental phase: Phase 3
Development status: Active
Chemical structure(s):
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Molecular weight: 1680.73
Iso. SMILES: CCCCCC1=CC=C(C=C1)/C(=C/C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]4[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC4=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C5=CC=CC=C5N)C)/C
InChI Key: DYNMYYRPPFVAKR-CWXHRMTKSA-N
Can. SMILES: CCCCCC1=CC=C(C=C1)/C(=C/C(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]4[C@@H](C)OC(=O)[C@H](CC(=O)C5=C(C=CC=C5)N)NC(=O)[C@H]([C@H](C)CC(=O)O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC4=O)/C
InChI: InChI=1S/C77H101N17O26/c1-6-7-8-14-41-20-22-42(23-21-41)37(2)25-58(98)86-49(27-43-33-81-47-18-12-10-15-44(43)47)71(113)89-50(29-57(80)97)72(114)91-53(32-64(107)108)73(115)94-66-40(5)120-77(119)54(28-56(96)45-16-9-11-17-46(45)79)92-76(118)65(38(3)26-61(101)102)93-74(116)55(36-95)87-60(100)34-82-68(110)51(30-62(103)104)88-67(109)39(4)84-70(112)52(31-63(105)106)90-69(111)48(19-13-24-78)85-59(99)35-83-75(66)117/h9-12,15-18,20-23,25,33,38-40,48-55,65-66,81,95H,6-8,13-14,19,24,26-32,34-36,78-79H2,1-5H3,(H2,80,97)(H,82,110)(H,83,117)(H,84,112)(H,85,99)(H,86,98)(H,87,100)(H,88,109)(H,89,113)(H,90,111)(H,91,114)(H,92,118)(H,93,116)(H,94,115)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/b37-25+/t38-,39-,40-,48+,49+,50-,51+,52+,53+,54+,55-,65+,66+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/46700778
Citations:
  • https://pubmed.ncbi.nlm.nih.gov/30924421/
  • https://www.escmid.org/escmid_publications/escmid_elibrary/?q=surotomycin&id=2173&L=0&x=0&y=0
  • http://www.merck.com/investors/financials/2015%20Form%2010-K_FINAL%20(r879).pdf

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