| Properties | Image |
|---|
| MNX_ID | MNXM1128992 |
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| reference | chebi:167882 |
| formula | C35H40N4O7 |
| global charge | 0 |
| mol weight | 628.726 |
| InChIKey | ULSSSZOYSMVFIJ-BLIRYRJESA-N |
| InChI | InChI=1S/C35H40N4O7/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/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-/t17-,21-,23-,30+/m0/s1 |
| SMILES | C=CC1=C(C)[C@H](CC2=N/C(=C3\C4=C(C(=O)[C@@H]3C(=O)OC)C(C)=C(CC3=C(CC)C(C)=C(C=O)N3)N4)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H40N4O7/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/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-/t17-,21-,23-,30+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][C:19]1=[C:25]([CH2:13][C:24]2=[C:18]([CH3:6])[C:28]3=[C:32](/[C:29](=[C:31]4/[C@@H:21]([CH2:10][CH2:11][C:27](=[O:41])[OH:42])[C@H:17]([CH3:5])[C:22]([CH2:12][C@H:23]5[C:16]([CH3:4])=[C:20]([CH:9]=[CH2:2])[C:34]([OH:44])=[N:39]5)=[N:37]4)[C@@H:30]([C:35](=[O:45])[O:46][CH3:7])[C:33]3=[O:43])[NH:38]2)[NH:36][C:26]([CH:14]=[O:40])=[C:15]1[CH3:3] |
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