CAS Number
Molecular Formula
C51H86N10O15
Product format
Neat
Molecular Weight
1079.30
API Family
Synonyms
Caspofungin Impurity A; 1202167-57-4; N-[(3S, 6S, 9S, 11R, 15S, 18S, 20R, 21S, 24S, 25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 25-trihydroxy-15-(hydroxymethyl)-2, 5, 8, 14, 17, 23-hexaoxo-1, 4, 7, 13, 16, 22-hexazatricyclo[22.3.0.09, 13]heptacosan-18-yl]-10, 12-dimethyltetradecanamide; Caspofungin Impurity 12; EX-A3042; IC139026; N-((2R, 6S, 9S, 11R, 12S, 14aS, 15S, 20S, 23S, 25aS)-20-((R)-3-amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2, 11, 15-trihydroxy-6-(hydroxymethyl)-5, 8, 14, 19, 22, 25-hexaoxotetracosahydro-1H-dipyrrolo[2, 1-c:2', 1'-l][1, 4, 7, 10, 13, 16]hexaazacyclohenicosin-9-yl)-10 and 12-dimethyltetradecanamide
Iupac Name
N-[(3S, 6S, 9S, 11R, 15S, 18S, 20R, 21S, 24S, 25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 25-trihydroxy-15-(hydroxymethyl)-2, 5, 8, 14, 17, 23-hexaoxo-1, 4, 7, 13, 16, 22-hexazatricyclo[22.3.0.09, 13]heptacosan-18-yl]-10 and 12-dimethyltetradecanamide
InChI
InChI=1S/C51H86N10O15/c1-4-28(2)23-29(3)11-9-7-5-6-8-10-12-39(68)55-33-25-38(67)45(54-21-20-53)59-49(74)42-37(66)18-22-60(42)51(76)40(36(65)17-19-52)57-48(73)41(44(70)43(69)30-13-15-31(63)16-14-30)58-47(72)35-24-32(64)26-61(35)50(75)34(27-62)56-46(33)71/h13-16,28-29,32-38,40-45,54,62-67,69-70H,4-12,17-27,52-53H2,1-3H3,(H,55,68)(H,56,71)(H,57,73)(H,58,72)(H,59,74)/t28?,29?,32-,33+,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+/m1/s1
