Compound ID | 2659

Update compound information

U-77,802 and U-77,803

Synonym(s): U-77802  |  U-77803

Class: Natural product antibiotic

Agent Type: Natural product; Small molecule;
Spectrum of activity: Gram-positive
Mechanism of action: Unknown
Target Pathogen: Active against Staphylococcus aureus, Staphylococcus epidermidis, Enterococcus faecalis, Streptococcus penumoniae, and Streptococcus pyogenes
Description: Natural product from Streptomyces paulus; prodrugs of paulomycin
Institute where first reported: Research Laboratories, The Upjohn Company
Year first mentioned: 1988
Development status: Experimental
Chemical structure(s):
U-77,802
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Molecular weight: 820.88
Iso. SMILES: CCC(C)C(=O)OC(C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)C3C(SC(=S)N3)C)COC(=O)C)C4(CC(=O)C(=N)C(=C4O)C(=O)O)O)O)C)O
InChI Key: NDTVBSYQVXVGSK-UHFFFAOYSA-N
Can. SMILES: CCC(C)C(=O)OC(C)C1(C(C)OC(CC1OC)OC2C(C(C3(CC(=O)C(=N)C(=C3O)C(=O)O)O)OC(COC(=O)C)C2OC(=O)C4C(C)SC(=S)N4)O)O
InChI: InChI=1S/C34H48N2O17S2/c1-8-12(2)30(43)50-15(5)34(46)14(4)49-20(9-19(34)47-7)52-26-24(39)28(33(45)10-17(38)22(35)21(27(33)40)29(41)42)51-18(11-48-16(6)37)25(26)53-31(44)23-13(3)55-32(54)36-23/h12-15,18-20,23-26,28,35,39-40,45-46H,8-11H2,1-7H3,(H,36,54)(H,41,42)
U-77,803
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Molecular weight: 806.86
Iso. SMILES: C[C@H]1[C@@]([C@H](C[C@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C3C(SC(=S)N3)C)COC(=O)C)[C@@]4(CC(=O)C(=N)C(=C4O)C(=O)O)O)O)OC)([C@H](C)OC(=O)C(C)C)O
InChI Key: BCZLWJHLCJBVMM-TXUMZDCISA-N
Can. SMILES: CC(C)C(=O)O[C@@H](C)[C@]1([C@H](C)O[C@@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@H]([C@@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O[C@H](COC(=O)C)[C@H]2OC(=O)C4C(C)SC(=S)N4)O)O
InChI: InChI=1S/C33H46N2O17S2/c1-11(2)29(42)49-14(5)33(45)13(4)48-19(8-18(33)46-7)51-25-23(38)27(32(44)9-16(37)21(34)20(26(32)39)28(40)41)50-17(10-47-15(6)36)24(25)52-30(43)22-12(3)54-31(53)35-22/h11-14,17-19,22-25,27,34,38-39,44-45H,8-10H2,1-7H3,(H,35,53)(H,40,41)/t12?,13-,14-,17+,18-,19+,22?,23+,24+,25+,27+,32-,33-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/139589280
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135600350
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/41/10/41_10_1316/_pdf/-char/en

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