CAS Number
Molecular Formula
C66H75Cl2N9O24
Product format
Neat
Molecular Weight
1,449.20
Storage
-20ºC
Shipping
Ice Pack (2-8°C)
API Family
Synonyms
Vancomycin EP Impurity J, 2416251-24-4, Vancomycin Impurity J, SCHEMBL52079 and BIDD:GT0353
Smiles
C[C@H]1[C@H]([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)NC)O)Cl)CO)O)O)(C)N)O
Iupac Name
(1S, 2R, 18R, 19R, 22S, 25R, 28R, 40R)-48-[(2S, 3R, 4S, 5S, 6R)-3-[(2S, 4S, 5S, 6S)-4-amino-5-hydroxy-4, 6-dimethyloxan-2-yl]oxy-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-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/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48+,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
