CAS Number
Molecular Formula
C72H96D5N17O26
Product format
Neat
Molecular Weight
1625.72
API Family
Synonyms
1356579-56-0; Daptomycin-D5 Trifluoroacetate Salt; 2, 2'-((3S, 6S, 9R, 15S, 18R, 21S, 24S, 30S, 31R)-30-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl-2, 4, 5, 6 and 7-d5)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-24-(3-aminopropyl)-6-((R)-1-carboxypropan-2-yl)-9-(hydro
Iupac Name
(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(2, 4, 5, 6, 7-pentadeuterio-1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S, 6S, 9R, 15S, 18R, 21S, 24S, 30S, 31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15, 21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18, 31-dimethyl-2, 5, 8, 11, 14, 17, 20, 23, 26, 29-decaoxo-1-oxa-4, 7, 10, 13, 16, 19, 22, 25 and 28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
InChI
InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1/i13D,15D,17D,20D,31D
