Compound ID | 913

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MDL 63246

Class: Glycopeptide, thiazolopeptide

Spectrum of activity: Gram-positive
Details of activity: Lower MICs than vancomycin and teicoplanin against S. aureus, coagulase negative staphylococci amf glycopeptide susceptible and resistant enterococci
Description: Berti M, Arain T, Goldstein BP, et al. Antimicrobial activity of MDL 63246, a new semi-synthetic glycopeptide antibiotic. 33rd-Intersci-Conf-Antimicrobial-Agents-Chemother 1993; 200.
Institute where first reported: Biosearch Italia (Pfizer, USA)
Year first mentioned: 1993
Highest development stage: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 1802.71
Iso. SMILES: CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]%10C%11=C(C(=CC(=C%11)OC%12=C(C=CC(=C%12)[C@H](C(=O)N[C@H](CC%13=CC=C(O3)C=C%13)C(=O)N%10)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)CO)O)O
InChI Key: YBHCRKSNNGPNKG-QEQRGNDBSA-N
Can. SMILES: CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OC2=C3C=C4C=C2OC5=CC=C(C=C5)C[C@@H]6C(=O)N[C@@H](C7=CC(=CC(=C7Cl)O)OC8=CC(=CC=C8O)[C@H](C(=O)N6)NC)C(=O)N[C@H]4C(=O)N[C@@H]9C%10=CC=C(C(=C%10)C%11=C(C=C(C=C%11[C@@H](C(=O)NCCCN(C)C)NC(=O)[C@H]([C@@H](C%12=CC=C(C(=C%12)Cl)O3)O)NC9=O)O)O[C@@H]%13[C@H]([C@H]([C@@H]([C@@H](CO)O%13)O)O)O)O)O)O
InChI: InChI=1S/C88H102Cl2N10O27/c1-39(2)13-10-8-6-7-9-11-14-63(107)94-72-76(111)74(109)61(37-101)125-87(72)127-79-59-31-44-32-60(79)123-56-24-19-43(29-51(56)89)73(108)71-86(120)98-69(81(115)92-25-12-26-100(4)5)49-33-45(103)34-58(124-88-78(113)77(112)75(110)62(38-102)126-88)64(49)48-28-41(17-22-53(48)104)67(83(117)99-71)95-84(118)68(44)96-85(119)70-50-35-47(36-55(106)65(50)90)122-57-30-42(18-23-54(57)105)66(91-3)82(116)93-52(80(114)97-70)27-40-15-20-46(121-59)21-16-40/h15-24,28-36,39,52,61-62,66-78,87-88,91,101-106,108-113H,6-14,25-27,37-38H2,1-5H3,(H,92,115)(H,93,116)(H,94,107)(H,95,118)(H,96,119)(H,97,114)(H,98,120)(H,99,117)/t52-,61-,62-,66-,67-,68-,69+,70+,71+,72-,73-,74-,75-,76-,77+,78+,87+,88+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/17748716
Citation: http://aac.asm.org/content/39/7/1580.full.pdf

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