Compound ID | 311

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LY307599

Class: Glycopeptide

Spectrum of activity: Gram-positive
Details of activity: Demonstrated lower MICs than vancomycin against tested strains of Staphylococcus aureus and Enterococci
Institute where first reported: Eli Lilly and Co., USA
Year first mentioned: 1997
Highest developmental phase: Preclinical
Development status: Inactive
Reason Dropped: Oritavancin was derived from this natural product and went into clinical trials and is now marketed.
Chemical structure(s):
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Molecular weight: 1758.66
Iso. SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6C=C=C(C=C6Cl)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C%10=CC(=C(O4)C=C%10)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O)C(=O)O)OC%11C[C@@]([C@H]([C@@H](O%11)C)O)(C)N)CO)O)O)(C)NCC%12=CC=C(C=C%12)C%13=CC=CC=C%13)O
InChI Key: PRDRUCWWULHLHW-CDRXTGLCSA-N
Can. SMILES: CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC=C(C(=C2)Cl)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@H]([C@@H](CO)O5)O)O)O[C@H]6C[C@@](C)([C@@H]([C@H](C)O6)O)NCC7=CC=C(C=C7)C8=CC=CC=C8)OC9C=C=C(C=C9Cl)[C@H]([C@H]%10C(=O)N[C@@H](C%11=CC(=CC(=C%11C%12=CC(=CC=C%12O)[C@H](C(=O)N%10)NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)O)O)C(=O)O)OC%13C[C@](C)([C@H]([C@H](C)O%13)O)N)O)NC
InChI: InChI=1S/C86H98Cl2N10O26/c1-36(2)23-51(91-7)77(109)97-67-69(104)43-18-21-55(49(87)25-43)119-57-27-45-28-58(73(57)124-84-74(71(106)70(105)59(35-99)121-84)123-62-33-86(6,76(108)38(4)118-62)92-34-39-13-15-41(16-14-39)40-11-9-8-10-12-40)120-56-22-19-44(26-50(56)88)72(122-61-32-85(5,90)75(107)37(3)117-61)68-82(114)96-66(83(115)116)48-29-46(100)30-54(102)63(48)47-24-42(17-20-53(47)101)64(79(111)98-68)95-80(112)65(45)94-78(110)52(31-60(89)103)93-81(67)113/h8-18,20-22,24-30,36-38,51-52,56,59,61-62,64-72,74-76,84,91-92,99-102,104-108H,23,31-35,90H2,1-7H3,(H2,89,103)(H,93,113)(H,94,110)(H,95,112)(H,96,114)(H,97,109)(H,98,111)(H,115,116)/t37-,38-,51+,52-,56?,59+,61?,62-,64+,65+,66-,67+,68-,69+,70-,71-,72+,74+,75-,76+,84-,85+,86-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16161640
Citation:

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