CAS Number
Molecular Formula
C86H97Cl3N10O26
Product format
Neat
Molecular Weight
1793.12
API Family
Synonyms
Oritavancin; 171099-57-3; LY333328; Chlorobiphenyl-chloroeremomycin; LY-333328; oritavancina; oritavancine; PUG62FRZ2E; CHEBI:82699; DTXSID20897570; (4''R)-22-O-(3-Amino-2, 3, 6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin; oritavancinum; oritavacin diphosphate; RefChem:57173; J01XA05; DTXCID701326917; Oritavancin [INN]; LY 333328; (4R)-22-O-(3-Amino-2, 3 and 6-trideoxy-3-C-methyl-a-L-arabinohexopyranosyl)-N3-(p-(p-chlorophenyl)benzyl)vancomycin; UNII-PUG62FRZ2E
Iupac Name
(1S, 2R, 18R, 19R, 22S, 25R, 28R, 40S)-2-[(2R, 4S, 5R, 6S)-4-amino-5-hydroxy-4, 6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5, 15-dichloro-48-[(2S, 3R, 4S, 5S, 6R)-3-[(2S, 4S, 5R, 6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4, 6-dimethyloxan-2-yl]oxy-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18, 32, 35, 37-tetrahydroxy-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, 10, 12(48), 14, 16, 29(45), 30, 32, 34(39), 35, 37, 46 and 49-pentadecaene-40-carboxylic acid
InChI
InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1
