Compound ID | 2225

Update compound information

GP6738

Class: Glycopeptide

Agent Type: Semisynthetic; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Interferes with cell wall turnover by indirectly inhibiting autolysins
Target Pathogen: Active against Staphylococcus aureus, Bacillus subtilis, Enterococcus faecium, and Streptomyces sp.
Description: Natural product from Streptomyces sp.; discovered through GPAHex platform - cryptic BGC but cloned and expressed in Streptomyces sp.; a type V glycopeptide
Year first mentioned: 2020
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1437.38
Iso. SMILES: CC(C)C(C(=O)NC1CC2=CC3=C(N2)C=C(C=C3)C4=C(C5=CC(=C4)C(C(=O)NC(C(=O)NC(CC6=CC=C(O5)C=C6)C(=O)NC(C7=CC(=CC(=C7)O)O)C(=O)O)C8=CC(=CC(=C8)O)O)NC(=O)C(NC1=O)C9=CC(=CC(=C9)O)O)O)NC(=O)C(C%10=CC(=CC(=C%10)O)O)NC(=O)C(C%11=CC(=CC(=C%11)O)O)N
InChI Key: HCNBYXSWWUAYCD-UHFFFAOYSA-N
Can. SMILES: CC(C)C(C(=O)NC1CC2=CC3=C(C=C(C=C3)C4=C(C5=CC(=C4)C(C(=O)NC(C6=CC(=CC(=C6)O)O)C(=O)NC(CC7=CC=C(C=C7)O5)C(=O)NC(C8=CC(=CC(=C8)O)O)C(=O)O)NC(=O)C(C9=CC(=CC(=C9)O)O)NC1=O)O)N2)NC(=O)C(C%10=CC(=CC(=C%10)O)O)NC(=O)C(C%11=CC(=CC(=C%11)O)O)N
InChI: InChI=1S/C73H68N10O22/c1-30(2)58(78-70(100)61(37-17-47(90)28-48(91)18-37)80-67(97)57(74)34-11-41(84)25-42(85)12-34)68(98)77-55-24-40-10-33-6-5-32(22-53(33)75-40)52-21-39-23-56(64(52)94)105-51-7-3-31(4-8-51)9-54(65(95)83-63(73(103)104)38-19-49(92)29-50(93)20-38)76-69(99)59(35-13-43(86)26-44(87)14-35)81-72(102)62(39)82-71(101)60(79-66(55)96)36-15-45(88)27-46(89)16-36/h3-8,10-23,25-30,54-55,57-63,75,84-94H,9,24,74H2,1-2H3,(H,76,99)(H,77,98)(H,78,100)(H,79,96)(H,80,97)(H,81,102)(H,82,101)(H,83,95)(H,103,104)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/169492460
Citation: https://www.nature.com/articles/s41467-020-19138-5#Sec2

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