Compound ID | 2658

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Parvodicin

Class: Glycopeptide

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus, Staphylococcus epidermidis, Staphylococcus haemolyticus, Enterococcus faecalis, and Staphylococcus saprophyticus; cell wall synthesis inhibitor; binds to D-alanine-D-alanine residues
Description: Natural product from Actinomadura parvosata; precursor to synthetic compound dalbavancin
Institute where first reported: Research and Development Division, Smith Kline & French Laboratories, P.O. Box 1539, King of Prussia, Pennsylvania 19406-0939, U.S.A.
Year first mentioned: 1987
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1732.53
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)O)O)Cl)C(=O)O)O)O
InChI Key: PZMMGNLKWHJGSE-PSDJNXLUSA-N
Can. SMILES: CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](C(=O)O)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)O)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/C83H88Cl2N8O29/c1-33(2)10-8-6-4-5-7-9-11-56(99)88-65-68(102)70(104)73(81(114)115)122-82(65)121-72-53-26-38-27-54(72)118-50-21-16-37(24-45(50)84)66(100)64-79(111)92-63(80(112)113)43-28-39(95)29-52(119-83-71(105)69(103)67(101)55(32-94)120-83)57(43)42-23-35(14-19-47(42)96)60(76(108)93-64)89-77(109)61(38)90-78(110)62-44-30-41(31-49(98)58(44)85)117-51-25-36(15-20-48(51)97)59(86-3)75(107)87-46(74(106)91-62)22-34-12-17-40(116-53)18-13-34/h12-21,23-31,33,46,55,59-71,73,82-83,86,94-98,100-105H,4-11,22,32H2,1-3H3,(H,87,107)(H,88,99)(H,89,109)(H,90,110)(H,91,106)(H,92,111)(H,93,108)(H,112,113)(H,114,115)/t46-,55-,59-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69+,70+,71+,73+,82-,83+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/17748695
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/40/7/40_7_970/_pdf/-char/en

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