CAS Number
Molecular Formula
C72H101N17O26
Product format
Neat
Molecular Weight
1620.71
API Family
Synonyms
Daptomycin beta-Isomer; 123180-72-3; (3S, 6S, 9S, 19R, 22S and 25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19; Daptomycin Impurity|AIsomers; FD174917; CS-0165623
Iupac Name
(3S, 6S, 9S, 19R, 22S, 25R)-31-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-[2-(2-aminophenyl)-2-oxoethyl]-25-(3-aminopropyl)-22-(carboxymethyl)-6-[(2S)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-19, 32-dimethyl-2, 5, 8, 11, 14, 18, 21, 24, 27, 30-decaoxo-1-oxa-4, 7, 10, 13, 17, 20, 23, 26 and 29-nonazacyclodotriacontane-16-carboxylic 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)65(106)83-45(27-52(75)92)66(107)85-47(30-59(101)102)67(108)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-70(111)60(35(2)24-57(97)98)88-68(109)50(34-90)82-55(95)32-77-54(94)28-48(71(112)113)86-62(103)36(3)79-64(105)46(29-58(99)100)84-63(104)43(21-16-23-73)80-56(96)33-78-69(61)110/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,77,94)(H,78,110)(H,79,105)(H,80,96)(H,81,93)(H,82,95)(H,83,106)(H,84,104)(H,85,107)(H,86,103)(H,87,111)(H,88,109)(H,89,108)(H,97,98)(H,99,100)(H,101,102)(H,112,113)/t35-,36+,37?,43+,44-,45-,46-,47-,48?,49-,50-,60-,61?/m0/s1
