| Properties | Image |
|---|
| MNX_ID | MNXM1130140 |
 |
| reference | keggD:D11766 |
| formula | C27H37N3O6 |
| global charge | 0 |
| mol weight | 499.608 |
| InChIKey | VYRWEWHOAMGLLW-WNQIDUERSA-N |
| InChI | InChI=1S/C24H31N3O3.C3H6O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26;1-2(4)3(5)6/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3;2,4H,1H3,(H,5,6)/t;2-/m.0/s1 |
| SMILES | CC(C)C1=C(O)C=C(O)C(C(=O)N2CC3=C(C=C(CN4CCN(C)CC4)C=C3)C2)=C1.C[C@H](O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H31N3O3.C3H6O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26;1-2(4)3(5)6/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3;2,4H,1H3,(H,5,6)/t;2-/m.0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C:20]1=[CH:11][C:21]([C:24]([N:27]2[CH2:14][C:18]3=[C:19]([CH:10]=[C:17]([CH2:13][N:26]4[CH2:8][CH2:6][N:25]([CH3:3])[CH2:7][CH2:9]4)[CH:4]=[CH:5]3)[CH2:15]2)=[O:30])=[C:23]([OH:29])[CH:12]=[C:22]1[OH:28].[CH3:31][C@@H:32]([C:33](=[O:35])[OH:36])[OH:34] |
|