CAS Number
Molecular Formula
C56H71N9O23S.Na
Product format
Neat
Molecular Weight
1270.28 22.99
API Family
Synonyms
Micafungin open ring Impurity; 539823-82-0; Micafungin Open-Ring Analog Sodium salt; Micafungin Open-ring Analog; 9C62ZSN8N2; (3S, 4S)-(4R)-4, 5-Dihydroxy-1-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-prolyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-3-hydroxy-4-methyl-L-prolinamide sodium; L-Prolinamide, (4R)-4, 5-dihydroxy-1-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-prolyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-3-hydroxy-4-methyl-, sodium salt (1:1), (3S, 4S)-; L-Prolinamide, (4R)-4, 5-dihydroxy-1-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-prolyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-3-hydroxy-4-methyl-, sodium salt, (3S and 4S)-
Iupac Name
sodium [5-[(1S, 2S, 3S)-4-[[(2S, 3R)-5-amino-1-[(2S, 3S, 4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1, 5-dioxopentan-2-yl]amino]-3-[[(2S, 4R)-1-[(2S, 3R)-2-[[(2S, 4R)-4, 5-dihydroxy-1-[4-[5-(4-pentoxyphenyl)-1, 2-oxazol-3-yl]benzoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-1 and 2-dihydroxy-4-oxobutyl]-2-hydroxyphenyl] sulfate
InChI
InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-20-33(62-87-39)27-7-9-29(10-8-27)53(79)65-35(21-38(70)54(65)80)51(77)59-42(26(3)66)55(81)63-24-31(67)19-34(63)50(76)61-44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)52(78)60-43(37(69)22-41(57)71)56(82)64-23-25(2)46(72)45(64)49(58)75;/h7-16,18,20,25-26,31,34-35,37-38,42-48,54,66-70,72-74,80H,4-6,17,19,21-24H2,1-3H3,(H2,57,71)(H2,58,75)(H,59,77)(H,60,78)(H,61,76)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,54?;/m0./s1
