| Properties | Image |
|---|
| MNX_ID | MNXM113856 |
 |
| reference | chebi:67331 |
| formula | C36H57BrN4O8 |
| global charge | 0 |
| mol weight | 753.776 |
| InChIKey | UQYHDSHIIDYSSP-PYYGQVSISA-N |
| InChI | InChI=1S/C36H57BrN4O8/c1-20(2)27-33(44)40(11)29(22(5)6)36(47)49-30(23(7)8)34(45)41-19-15-16-25(41)32(43)39(10)28(21(3)4)35(46)48-26(17-13-12-14-18-37)24(9)31(42)38-27/h20-30H,12-13,15-17,19H2,1-11H3,(H,38,42)/t24-,25-,26+,27-,28-,29-,30-/m0/s1 |
| SMILES | CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C36H57BrN4O8/c1-20(2)27-33(44)40(11)29(22(5)6)36(47)49-30(23(7)8)34(45)41-19-15-16-25(41)32(43)39(10)28(21(3)4)35(46)48-26(17-13-12-14-18-37)24(9)31(42)38-27/h20-30H,12-13,15-17,19H2,1-11H3,(H,38,42)/t24-,25-,26+,27-,28-,29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C@H:27]1[C:33](=[O:44])[N:40]([CH3:11])[C@@H:29]([CH:22]([CH3:5])[CH3:6])[C:36](=[O:47])[O:49][C@@H:30]([CH:23]([CH3:7])[CH3:8])[C:34](=[O:45])[N:41]2[CH2:19][CH2:15][CH2:16][C@H:25]2[C:32](=[O:43])[N:39]([CH3:10])[C@@H:28]([CH:21]([CH3:3])[CH3:4])[C:35](=[O:46])[O:48][C@H:26]([CH2:17][CH2:13][CH2:12][C:14]#[C:18][Br:37])[C@H:24]([CH3:9])[C:31]([OH:42])=[N:38]1 |
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