CAS Number
Molecular Formula
C52H88N10O15
Product format
Neat
Molecular Weight
1093.3
API Family
Synonyms
Caspofungin; caspofungine; 162808-62-0; Caspofungina; F0XDI6ZL63; L 743872; L-743872; L-743, 872; (4R, 5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10, 12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; caspofunginum; DTXSID30873204; CHEBI:474180; RefChem:56792; J02AX04; DTXCID701508490; N-((3S, 6S, 9S, 11R, 15S, 18S, 20R, 21S, 24S, 25S)-3-((1R)-3-amino-1-hydroxypropyl)-21-((2-aminoethyl)amino)-6-((1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-11, 20, 25-trihydroxy-15-((1R)-1-hydroxyethyl)-2, 5, 8, 14, 17, 23-hexaoxo-1, 4, 7, 13, 16, 22-hexaazatricyclo(22.3.0.0^(9, 13))heptacosan-18-yl)-10, 12-dimethyltetradecanamide; L743872; L743, 872; Tetradecanamide, N-((2R, 6S, 9S, 11R, 12S, 14aS, 15S, 20S, 23S, 25aS)-12-((2-aminoethyl)amino)-20-((1R)-3-amino-1-hydroxypropyl)-23-((1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl)tetracosahydro-2, 11, 15-trihyd roxy-6-((1R)-1-hydroxyethyl)-5, 8, 14, 19, 22, 25-hexaoxo-1H-dipyrrolo(2, 1-c:2', 1'-l)(1, 4, 7, 10, 13, 16)hexaazacycloheneicosin-9-yl)-10, 12-dimethyl-; Pneumocandin B0, 1-[(4R, 5S)-5-[(2-aminoethyl)amino]-N2-[(10R, 12S)-10 and 12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-
Iupac Name
(10R, 12S)-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-[(1R)-1-hydroxyethyl]-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/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1
