CAS Number
Molecular Formula
C46H63ClN4O14S2
Product format
Neat
Molecular Weight
995.59
API Family
Synonyms
DM4-SPDB; 1626359-62-3; SPDB-DM4; C46H63ClN4O14S2; orb1987730; SCHEMBL29822317; MFCD28398158; AKOS040743883; DA-67714; MS-31849; G17677; (2, 5-dioxopyrrolidin-1-yl) 4-[[4-[[(1S)-2-[[(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16, 18-pentaen-6-yl]oxy]-1-methyl-2-oxo-ethyl]-methyl-amino]-1, 1-dimethyl-4-oxo-butyl]disulfanyl]butanoate; (2, 5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16 and 18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate
Iupac Name
(2, 5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16 and 18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate
InChI
InChI=1S/C46H63ClN4O14S2/c1-26-13-11-14-33(61-10)46(59)25-32(62-43(58)48-46)27(2)41-45(6,64-41)34(24-38(55)50(8)30-22-29(21-26)23-31(60-9)40(30)47)63-42(57)28(3)49(7)35(52)18-19-44(4,5)67-66-20-12-15-39(56)65-51-36(53)16-17-37(51)54/h11,13-14,22-23,27-28,32-34,41,59H,12,15-21,24-25H2,1-10H3,(H,48,58)/b14-11-,26-13-/t27-,28+,32+,33-,34+,41+,45+,46+/m1/s1
