| Properties | Image |
|---|
| MNX_ID | MNXM736918 |
 |
| reference | seedM:cpd18005 |
| formula | C35H37N4O7 |
| global charge | -1 |
| mol weight | 625.702 |
| InChIKey | VVMBWBHPFAFAAE-MVUJVLOWSA-M |
| InChI | InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12-14,17,21,23H,2,8,10-11H2,1,3-7H3,(H5,36,37,38,39,40,41,42,43,44,45)/p-1/b22-12-/t17-,21-,23?/m0/s1 |
| SMILES | C=CC1=C(C)C(/C=C2\[NH+]=C(C3=C4[N-]/C(=C\C5=C(CC)C(C)=C(C=O)N5)C(C)=C4C(O)=C3C(=O)OC)[C@@H](CCC(=O)[O-])[C@@H]2C)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12-14,17,21,23H,2,8,10-11H2,1,3-7H3,(H5,36,37,38,39,40,41,42,43,44,45)/b22-12-/t17-,21-,23?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C:19]1=[C:15]([CH3:3])[C:26](=[CH:14][OH:40])[NH+:36]=[C:25]1[CH:13]=[C:24]1[C:18]([CH3:6])=[C:28]2[C:32](=[N:38]1)[C:29](=[C:31]1[C@@H:21]([CH2:10][CH2:11][C:27](=[O:41])[OH:42])[C@H:17]([CH3:5])/[C:22](=[CH:12]/[CH:23]3[C:16]([CH3:4])=[C:20]([CH:9]=[CH2:2])[C:34](=[O:44])[N-:39]3)[NH:37]1)[C:30]([C:35](=[O:45])[O:46][CH3:7])=[C:33]2[OH:43] |
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