Identification
| Name |
DM4-SPDB |
|---|
| Synonyms |
(1S,2R,3S,5S,6S,16E,18E,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(26),11,13,16,18-pentaen-6-yl (2 S)-2-{[4-({4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl}disulfanyl)-4-methylpentanoyl](methyl)amino}propanoate (non-preferred name); DM4 SPDB |
|
| Molecular Structure |
 |
| Molecular Formula |
C46H63ClN4O14S2 |
| Molecular Weight |
995.59 |
| CAS Registry Number |
1626359-62-3 |
| SMILES |
CC1=CC=C[C@H]([C@]2(C[C@@H]([C@@H](C)[C@H]3[C@](C)([C@H](CC(=O)N(C)C4=C(C(=CC(=C4)C1)OC)Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON5C(=O)CCC5=O)O3)OC(=N2)O)O)OC C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O |
| 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 |
| InChIKey |
LAVNQRWLLQGEIB-BAQPUJNESA-N |
|
