Compound ID | 310

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LY264826 (A82846B)

Class: Glycopeptide

Spectrum of activity: Gram-positive
Details of activity: Demonstrated lower MICs than vancomycin against tested strains of Staphylococcus aureus and Enterococci
Description: natural compound
Institute where first reported: Eli Lilly and Co., USA
Year first mentioned: 1995
Highest developmental phase: Preclinical
Development status: Inactive
Reason Dropped: Oritavancin was derived from LY264826 along with this compound, oritavancin went into clinical trials and is now marketed.
Chemical structure(s):
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Molecular weight: 1592.44
Iso. SMILES: C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@H](C2O)O)CO)OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[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)O[C@H]%11C[C@]([C@H]([C@@H](O%11)C)O)(C)N)Cl)(C)N)O
InChI Key: XJHXLMVKYIVZTE-FIUQLALASA-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([C@@H]([C@@H](CO)O5)O)O)O[C@H]6C[C@@](C)([C@H]([C@H](C)O6)O)N)OC7=CC=C(C=C7Cl)[C@H]([C@H]8C(=O)N[C@@H](C9=CC(=CC(=C9C%10=CC(=CC=C%10O)[C@H](C(=O)N8)NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)O)O)C(=O)O)O[C@H]%11C[C@@](C)([C@H]([C@H](C)O%11)O)N)O)NC
InChI: InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58?,59+,61+,62-,63-,71-,72-,73-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/164062
Citation:

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