| Properties | Image |
|---|
| MNX_ID | MNXM153453 |
 |
| reference | chebi:84383 |
| formula | C35H43ClN4O6 |
| global charge | 0 |
| mol weight | 651.204 |
| InChIKey | IWARTZQXZZVCBY-AJVIBBBTSA-N |
| InChI | InChI=1S/C35H43ClN4O6/c1-19-15-20(2)23(5)46-31(42)18-29(24-11-13-25(41)14-12-24)39-34(44)30(17-27-26-9-7-8-10-28(26)38-32(27)36)40(6)35(45)22(4)37-33(43)21(3)16-19/h7-15,20-23,29-30,38,41H,16-18H2,1-6H3,(H,37,43)(H,39,44)/b19-15+/t20-,21+,22+,23-,29-,30-/m1/s1 |
| SMILES | C/C1=C\[C@@H](C)[C@@H](C)OC(=O)C[C@H](C2=CC=C(O)C=C2)NC(=O)[C@@H](CC2=C(Cl)NC3=C2C=CC=C3)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H43ClN4O6/c1-19-15-20(2)23(5)46-31(42)18-29(24-11-13-25(41)14-12-24)39-34(44)30(17-27-26-9-7-8-10-28(26)38-32(27)36)40(6)35(45)22(4)37-33(43)21(3)16-19/h7-15,20-23,29-30,38,41H,16-18H2,1-6H3,(H,37,43)(H,39,44)/b19-15+/t20-,21+,22+,23-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:19]1=[CH:15]\[C@@H:20]([CH3:2])[C@@H:23]([CH3:5])[O:46][C:31](=[O:42])[CH2:18][C@H:29]([C:24]2=[CH:12][CH:14]=[C:25]([OH:41])[CH:13]=[CH:11]2)[N:39]=[C:34]([OH:44])[C@@H:30]([CH2:17][C:27]2=[C:32]([Cl:36])[NH:38][C:28]3=[CH:10][CH:8]=[CH:7][CH:9]=[C:26]23)[N:40]([CH3:6])[C:35](=[O:45])[C@H:22]([CH3:4])[N:37]=[C:33]([OH:43])[C@@H:21]([CH3:3])[CH2:16]1 |
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