| Properties | Image |
|---|
| MNX_ID | MNXM1100855 |
 |
| reference | metacycM:CPD-17223 |
| formula | C33H36N4O6 |
| global charge | -2 |
| mol weight | 584.673 |
| InChIKey | IGJXAXFFKKRFKU-NDGVYKEISA-L |
| InChI | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,35H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b20-7+,27-14-,28-15-/t19-,26-/m1/s1 |
| SMILES | C=CC1=C(C)[C@@H](CC2=N/C(=C\C3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)[C@H](C)\C4=C/C)N3)C(CCC(=O)[O-])=C2C)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,35H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,27-14-,28-15-/t19-,26-/m1/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:7]=[C:20]1\[C@@H:19]([CH3:6])[C:32]([OH:42])=[N:37]\[C:27]1=[CH:14]/[C:25]1=[C:18]([CH3:5])[C:23]([CH2:10][CH2:12][C:31](=[O:40])[OH:41])=[C:29](/[CH:15]=[C:28]2/[C:22]([CH2:9][CH2:11][C:30](=[O:38])[OH:39])=[C:17]([CH3:4])[C:24]([CH2:13][C@@H:26]3[C:16]([CH3:3])=[C:21]([CH:8]=[CH2:2])[C:33]([OH:43])=[N:36]3)=[N:34]2)[NH:35]1 |
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