| Name |
Polydiscamide B |
| Formula |
C75H109N18O21S |
| Mw |
1629.77353841 |
| CAS RN |
1005109-64-7 |
| C_ID |
C00040044
, 
|
| InChIKey |
OLCQVEPKUJTFHC-WUWVBYPNNA-N |
| InChICode |
InChI=1S/C75H109BrN18O21S/c1-11-75(8,9)60(91-64(102)48(31-38(2)3)84-67(105)54-20-15-29-93(54)70(108)50(86-61(99)40(6)82-37-95)32-42-22-24-44(76)25-23-42)69(107)85-49(33-43-35-81-46-18-13-12-17-45(43)46)63(101)83-47(19-14-28-80-74(78)79)62(100)88-52(36-116(112,113)114)65(103)90-59-41(7)115-73(111)51(34-57(97)98)87-68(106)55-21-16-30-94(55)72(110)58(39(4)5)89-66(104)53(26-27-56(77)96)92(10)71(59)109/h12-13,17-18,22-25,35,37-41,47-55,58-60,81H,11,14-16,19-21,26-34,36H2,1-10H3,(H2,77,96)(H,82,95)(H,83,101)(H,84,105)(H,85,107)(H,86,99)(H,87,106)(H,88,100)(H,89,104)(H,90,103)(H,91,102)(H,97,98)(H4,78,79,80)(H,112,113,114)/t40-,41-,47+,48-,49-,50+,51-,52-,53+,54+,55+,58-,59+,60-/m1/s1 |
| SMILES |
CCC(C)(C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Irciniidae | Ircinia sp. | Ref. |
|
|
zoom in
| Organism | Ircinia sp. |
|---|
| Reference | Feng,J.Nat.Prod.,71,(2008),8 |
|---|
|
