Compound ID | 759

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A-40,926 (MDL 63042)

Class: Glycopeptide

Spectrum of activity: Gram-negative
Institute where first reported: Biosearch Italia (Pfizer Italia)
Year first mentioned: 2002
Highest developmental phase: Preclinical
Development status: Inactive
Reason Dropped: This was the starting point for DALBAVANCIN, which was recently registered. - (LS)
Chemical structure(s):
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Molecular weight: 1534.23
Iso. SMILES: CN[C@@H]1C2=CC(=C(C=C2)O)OC3=CC(=C(C(=C3)O)Cl)[C@H]4C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)N[C@@H](C9=C(C%10=CC(=CC=C%10)[C@H](C(=O)N8)NC5=O)C(=CC(=C9)O)O[C@@H]%11[C@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O)C(=O)O)O)Cl)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)C(=O)O)O)O)N)OC%13=CC=C(C[C@H](C(=O)N4)NC1=O)C=C%13
InChI Key: BEVDFPMXVNOQBI-AXNWEOKVSA-N
Can. SMILES: CN[C@@H]1C2=CC=C(C(=C2)OC3=CC(=C(C(=C3)[C@H]4C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=CC=C(C=C7)C[C@H](C(=O)N4)NC1=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O8)O)O)N)OC9=CC=C(C=C9Cl)C(C%10C(=O)N[C@@H](C%11=C(C%12=CC(=CC=C%12)[C@H](C(=O)N%10)NC5=O)C(=CC(=C%11)O)O[C@@H]%13[C@H]([C@H]([C@@H]([C@@H](CO)O%13)O)O)O)C(=O)O)O)Cl)O)O
InChI: InChI=1S/C71H66Cl2N8O27/c1-75-48-27-7-11-37(84)40(16-27)103-32-21-34(46(73)38(85)22-32)51-66(96)78-50-29-17-42(102-31-9-5-24(6-10-31)13-36(62(92)79-51)76-63(48)93)60(107-70-47(74)56(88)58(90)61(108-70)69(100)101)43(18-29)104-39-12-8-28(15-35(39)72)54(86)53-67(97)80-52(68(98)99)33-19-30(83)20-41(105-71-59(91)57(89)55(87)44(23-82)106-71)45(33)25-3-2-4-26(14-25)49(64(94)81-53)77-65(50)95/h2-12,14-22,36,44,47-59,61,70-71,75,82-91H,13,23,74H2,1H3,(H,76,93)(H,77,95)(H,78,96)(H,79,92)(H,80,97)(H,81,94)(H,98,99)(H,100,101)/t36-,44-,47-,48-,49-,50-,51+,52+,53?,54?,55-,56-,57+,58+,59+,61+,70-,71+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/133082069
Citations:
  • https://www.jstage.jst.go.jp/article/antibiotics1968/48/8/48_8_869/_pdf

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