| Name |
Cleomycin B2 |
| Formula |
C56H84N20O21S2 |
| Mw |
1436.55613136 |
| CAS RN |
76741-88-3 |
| C_ID |
C00018300
, 
|
| InChIKey |
HHZSNKZXZCTAOT-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C56H84N20O21S2/c1-20-32(73-45(76-43(20)59)24(12-30(58)79)68-13-23(57)44(60)85)48(88)74-33(39(25-14-64-19-69-25)95-53-41(37(83)35(81)28(15-77)94-53)96-52-38(84)40(97-55(63)91)36(82)29(16-78)93-52)49(89)70-22(3)34(80)21(2)46(86)75-42(56(92)7-8-56)50(90)66-11-6-31-71-27(18-98-31)51-72-26(17-99-51)47(87)65-9-4-5-10-67-54(61)62/h14,17-19,21-24,28-29,33-42,52-53,68,77-78,80-84,92H,4-13,15-16,57H2,1-3H3,(H2,58,79)(H2,60,85)(H2,63,91)(H,64,69)(H,65,87)(H,66,90)(H,70,89)(H,74,88)(H,75,86)(H2,59,73,76)(H4,61,62,67)/t21-,22+,23+,24+,28-,29+,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,52+,53-/m0/s1 |
| SMILES |
c1c(nc(s1)c1csc(n1)CCNC(=O)[C@@H](C1(CC1)O)NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H]([C@H](O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)N)O)CO)c1[nH]cnc1)NC(=O)c1nc(nc(c1C)N)[C@@H](CC(=O)N)NC[C@H](C(=O)N)N)C(=O)NCCCCNC(=N)N |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Streptomycetaceae | Streptomyces verticillus NK68-144 (FERM-P 4108) | Ref. |
|
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