| Properties | Image |
|---|
| MNX_ID | MNXM105885 |
 |
| reference | chebi:68271 |
| formula | C37H47BrN4O6 |
| global charge | 0 |
| mol weight | 723.709 |
| InChIKey | WZBSTYSFQCNXMX-RDHKBRSVSA-N |
| InChI | InChI=1S/C37H47BrN4O6/c1-7-29-37(47)42(6)32(19-28-27-10-8-9-11-30(27)39-34(28)38)36(46)41-31(25-12-14-26(43)15-13-25)20-33(44)48-24(5)18-22(3)16-21(2)17-23(4)35(45)40-29/h8-16,22-24,29,31-32,39,43H,7,17-20H2,1-6H3,(H,40,45)(H,41,46)/b21-16+/t22-,23-,24-,29-,31+,32+/m0/s1 |
| SMILES | CC[C@@H]1NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](C2=CC=C(O)C=C2)NC(=O)[C@@H](CC2=C(Br)NC3=C2C=CC=C3)N(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C37H47BrN4O6/c1-7-29-37(47)42(6)32(19-28-27-10-8-9-11-30(27)39-34(28)38)36(46)41-31(25-12-14-26(43)15-13-25)20-33(44)48-24(5)18-22(3)16-21(2)17-23(4)35(45)40-29/h8-16,22-24,29,31-32,39,43H,7,17-20H2,1-6H3,(H,40,45)(H,41,46)/b21-16+/t22-,23-,24-,29-,31+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@H:29]1[C:37](=[O:47])[N:42]([CH3:6])[C@H:32]([CH2:19][C:28]2=[C:34]([Br:38])[NH:39][C:30]3=[CH:11][CH:9]=[CH:8][CH:10]=[C:27]23)[C:36]([OH:46])=[N:41][C@@H:31]([C:25]2=[CH:13][CH:15]=[C:26]([OH:43])[CH:14]=[CH:12]2)[CH2:20][C:33](=[O:44])[O:48][C@@H:24]([CH3:5])[CH2:18][C@@H:22]([CH3:3])/[CH:16]=[C:21](\[CH3:2])[CH2:17][C@H:23]([CH3:4])[C:35]([OH:45])=[N:40]1 |
|