| Properties | Image |
|---|
| MNX_ID | MNXM1177278 |
 |
| reference | envipathM:...49a0c244e59c |
| formula | C30H35FN4O11 |
| global charge | 0 |
| mol weight | 646.625 |
| InChIKey | KSRFOSYAJDATNK-VOLUSJMVSA-N |
| InChI | InChI=1S/C30H35FN4O11/c1-6-33-13-20(26(40)19-11-21(31)23(12-22(19)33)35-9-7-34(8-10-35)15(2)36)29(41)32-25-28(45-18(5)39)27(44-17(4)38)24(46-30(25)42)14-43-16(3)37/h11-13,24-25,27-28H,6-10,14H2,1-5H3,(H,32,41)/t24-,25-,27?,28+/m0/s1 |
| SMILES | CCN1C=C(C(=O)N[C@@H]2C(=O)O[C@@H](COC(C)=O)C(OC(C)=O)[C@@H]2OC(C)=O)C(=O)C2=C1C=C(N1CCN(C(C)=O)CC1)C(F)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C30H35FN4O11/c1-6-33-13-20(26(40)19-11-21(31)23(12-22(19)33)35-9-7-34(8-10-35)15(2)36)29(41)32-25-28(45-18(5)39)27(44-17(4)38)24(46-30(25)42)14-43-16(3)37/h11-13,24-25,27-28H,6-10,14H2,1-5H3,(H,32,41)/t24-,25-,27?,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][N:33]1[CH:13]=[C:20]([C:29](=[N:32][C@H:25]2[C@@H:28]([O:45][C:18]([CH3:5])=[O:39])[CH:27]([O:44][C:17]([CH3:4])=[O:38])[C@H:24]([CH2:14][O:43][C:16]([CH3:3])=[O:37])[O:46][C:30]2=[O:42])[OH:41])[C:26](=[O:40])[C:19]2=[CH:11][C:21]([F:31])=[C:23]([N:35]3[CH2:9][CH2:7][N:34]([C:15]([CH3:2])=[O:36])[CH2:8][CH2:10]3)[CH:12]=[C:22]21 |
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