CAS Number
Molecular Formula
C59H62Cl2N8O22
Product format
Neat
Molecular Weight
1306.08
Storage
+5°C
Shipping
Room Temperature
API Family
Synonyms
DESVANCOSAMINYL VANCOMYCIN, RefChem:585832, (1S, 2R, 18R, 19R, 22S, 25R, 28R, 40S)-22-(2-amino-2-oxoethyl)-5, 15-dichloro-2, 18, 32, 35, 37-pentahydroxy-19-(((2R)-4-methyl-2-(methylamino)pentanoyl)amino)-20, 23, 26, 42, 44-pentaoxo-48-((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7, 13-dioxa-21, 24, 27, 41, 43-pentazaoctacyclo(26.14.2.23, 6.214, 17.18, 12.129, 33.010, 25.034, 39)pentaconta-3, 5, 8(48), 9, 11, 14, 16, 29(45), 30, 32, 34(39), 35, 37, 46, 49-pentadecaene-40-carboxylic acid, (1S, 2R, 18R, 19R, 22S, 25R, 28R, 40S)-22-(2-amino-2-oxoethyl)-5, 15-dichloro-2, 18, 32, 35, 37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20, 23, 26, 42, 44-pentaoxo-48-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7, 13-dioxa-21, 24, 27, 41, 43-pentazaoctacyclo[26.14.2.23, 6.214, 17.18, 12.129, 33.010, 25.034, 39]pentaconta-3, 5, 8(48), 9, 11, 14, 16, 29(45), 30, 32, 34(39), 35, 37, 46, 49-pentadecaene-40-carboxylic acid, Vancomycin EP Impurity D, pseudovancomycin, vancomycin pseudoaglycone, devancoaminyl vancomycin, Devancosaminyl-vancomycin, pseudo-Vancomycin, Desvancosaminyl-vancomycin, SCHEMBL29941547, CHEBI:47395, 43WYS9K792, DB04529, C20720, G91014, Q27120775, 2'-O-De(3-amino-2, 3, 6-trideoxy-3-C-methyl-|A-L-lyxo-hexopyranosyl)vancomycin, 2'-O-De(3-amino-2, 3 and 6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)vancomycin
Smiles
CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC
Iupac Name
(1S, 2R, 18R, 19R, 22S, 25R, 28R, 40S)-22-(2-amino-2-oxoethyl)-5, 15-dichloro-2, 18, 32, 35, 37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20, 23, 26, 42, 44-pentaoxo-48-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7, 13-dioxa-21, 24, 27, 41, 43-pentazaoctacyclo[26.14.2.23, 6.214, 17.18, 12.129, 33.010, 25.034, 39]pentaconta-3, 5, 8(48), 9, 11, 14, 16, 29(45), 30, 32, 34(39), 35, 37, 46 and 49-pentadecaene-40-carboxylic acid
InChI
InChI=1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61)47(76)45-57(85)67-43(58(86)87)27-16-25(71)17-33(73)40(27)26-11-21(4-7-32(26)72)41(54(82)69-45)66-55(83)42(24)65-53(81)31(18-39(62)74)64-56(44)84/h4-9,11-17,20,30-31,38,41-50,59,63,70-73,75-79H,10,18-19H2,1-3H3,(H2,62,74)(H,64,84)(H,65,81)(H,66,83)(H,67,85)(H,68,80)(H,69,82)(H,86,87)/t30-,31+,38-,41-,42-,43+,44-,45+,46-,47-,48-,49+,50-,59+/m1/s1
