Compound ID | 3430

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N-alkyl Demethylvancomycin 

Synonym(s): N,N'-dialkyl N-demethylvancomycin

Class: Glycopeptide

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus; cell wall synthesis inhibitor
Description: Semi-synthetic compound derived from the natural product N-demethylvancomycin
Year first mentioned: 1998
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1435.23
Iso. SMILES: C[C@H]1C([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N)O)Cl)CO)O)O)(C)N)O
InChI Key: NUAQIRUAZSJTAI-TYIWBIPUSA-N
Can. SMILES: CC(C)C[C@H](C(=O)N[C@H]1[C@@H](C2=CC=C(C(=C2)Cl)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O[C@H]6C[C@@](C)(C([C@H](C)O6)O)N)OC7=CC=C(C=C7Cl)[C@H]([C@H]8C(=O)N[C@@H](C9=CC(=CC(=C9C%10=CC(=CC=C%10O)[C@H](C(=O)N8)NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)O)O)C(=O)O)O)O)N
InChI: InChI=1S/C65H73Cl2N9O24/c1-22(2)11-33(68)57(87)75-48-50(82)25-6-9-37(31(66)13-25)96-39-15-27-16-40(54(39)100-64-55(53(85)52(84)41(21-77)98-64)99-43-20-65(4,70)56(86)23(3)95-43)97-38-10-7-26(14-32(38)67)51(83)49-62(92)74-47(63(93)94)30-17-28(78)18-36(80)44(30)29-12-24(5-8-35(29)79)45(59(89)76-49)73-60(90)46(27)72-58(88)34(19-42(69)81)71-61(48)91/h5-10,12-18,22-23,33-34,41,43,45-53,55-56,64,77-80,82-86H,11,19-21,68,70H2,1-4H3,(H2,69,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t23-,33+,34-,41+,43-,45+,46+,47-,48-,49-,50+,51+,52+,53-,55+,56?,64-,65-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/73348780
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/51/8/51_8_750/_article/-char/en

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