Compound ID | 373

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A40926 (MDL 63042)

Class: Glycopeptide

Spectrum of activity: Gram-negative
Institute where first reported: Biosearch Italia (Pfizer, USA)
Year first mentioned: 1987
Highest developmental phase: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 1716.53
Iso. SMILES: CC(C)CCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC=C7)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C%10C%11=C(C(=CC(=C%11)OC%12=C(C=CC(=C%12)C(C(=O)NC(CC%13=CC=C(O3)C=C%13)C(=O)N%10)NC)O)O)Cl)O)C(=O)O)O)Cl)C(=O)O)O)O
InChI Key: DUFQTFJKDHAGSC-UHFFFAOYSA-N
Can. SMILES: CC(C)CCCCCCCCC(=O)NC1C(C(C(C(=O)O)OC1OC2=C3C=C4C=C2OC5=CC=C(C=C5)CC6C(=O)NC(C7=CC(=CC(=C7Cl)O)OC8=CC(=CC=C8O)C(C(=O)N6)NC)C(=O)NC4C(=O)NC9C%10=CC(=C(C=C%10)O)C%11=C(C=CC=C%11C(C(=O)O)NC(=O)C(C(C%12=CC=C(C(=C%12)Cl)O3)O)NC9=O)OC%13C(C(C(C(CO)O%13)O)O)O)O)O
InChI: InChI=1S/C83H88Cl2N8O28/c1-34(2)11-8-6-4-5-7-9-14-56(98)88-65-68(101)70(103)73(81(113)114)121-82(65)120-72-53-29-39-30-54(72)117-50-24-19-38(27-45(50)84)66(99)64-79(110)92-63(80(111)112)42-12-10-13-51(118-83-71(104)69(102)67(100)55(33-94)119-83)57(42)43-26-36(17-22-47(43)95)60(76(107)93-64)89-77(108)61(39)90-78(109)62-44-31-41(32-49(97)58(44)85)116-52-28-37(18-23-48(52)96)59(86-3)75(106)87-46(74(105)91-62)25-35-15-20-40(115-53)21-16-35/h10,12-13,15-24,26-32,34,46,55,59-71,73,82-83,86,94-97,99-104H,4-9,11,14,25,33H2,1-3H3,(H,87,106)(H,88,98)(H,89,108)(H,90,109)(H,91,105)(H,92,110)(H,93,107)(H,111,112)(H,113,114)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/162640466
Citation:

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