CAS Number
Molecular Formula
C89H102Cl2N10O28
Product format
Neat
Molecular Weight
1830.74
Storage
ROOM T
Shipping
Room Temperature
API Family
Synonyms
Dalbavancin B2; N15-Methyl dalbavancin B0; 546TV13NE8; 871132-03-5; UNII-546TV13NE8; SCHEMBL878579; SCHEMBL31722157; Q27261174
Iupac Name
(2S, 3S, 4R, 5R, 6S)-6-[[(1S, 2R, 19R, 22R, 34S, 37R, 40R, 52S)-5, 32-dichloro-22-(dimethylamino)-52-[3-(dimethylamino)propylcarbamoyl]-2, 26, 31, 44, 49-pentahydroxy-21, 35, 38, 54, 56, 59-hexaoxo-47-[(2R, 3S, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7, 13, 28-trioxa-20, 36, 39, 53, 55, 58-hexazaundecacyclo[38.14.2.23, 6.214, 17.219, 34.18, 12.123, 27.129, 33.141, 45.010, 37.046, 51]hexahexaconta-3, 5, 8, 10, 12(64), 14(63), 15, 17(62), 23(61), 24, 26, 29(60), 30, 32, 41(57), 42, 44, 46(51), 47, 49, 65-henicosaen-64-yl]oxy]-3 and 4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid
InChI
InChI=1S/C89H102Cl2N10O28/c1-39(2)14-11-9-7-8-10-12-15-62(107)94-70-74(110)76(112)79(87(121)122)129-88(70)128-78-59-32-44-33-60(78)125-56-25-20-43(30-51(56)90)72(108)69-85(119)98-67(81(115)92-26-13-27-100(3)4)49-34-45(103)35-58(126-89-77(113)75(111)73(109)61(38-102)127-89)63(49)48-29-41(18-23-53(48)104)65(82(116)99-69)95-83(117)66(44)96-84(118)68-50-36-47(37-55(106)64(50)91)124-57-31-42(19-24-54(57)105)71(101(5)6)86(120)93-52(80(114)97-68)28-40-16-21-46(123-59)22-17-40/h16-25,29-37,39,52,61,65-77,79,88-89,102-106,108-113H,7-15,26-28,38H2,1-6H3,(H,92,115)(H,93,120)(H,94,107)(H,95,117)(H,96,118)(H,97,114)(H,98,119)(H,99,116)(H,121,122)/t52-,61-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74-,75+,76+,77+,79+,88-,89+/m1/s1
