| Properties | Image |
|---|
| MNX_ID | MNXM41924 |
 |
| reference | chebi:31207 |
| formula | C35H46N6O8S |
| global charge | 0 |
| mol weight | 710.854 |
| InChIKey | CAVZBWFUMSXZFB-LJWNLINESA-N |
| InChI | InChI=1S/C35H46N6O8S/c1-5-35(2,3)49-34(48)41-27(18-22-20-37-24-14-10-9-13-23(22)24)32(46)38-25(15-16-50-4)31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-11-7-6-8-12-21/h6-14,20,25-28,37H,5,15-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1 |
| SMILES | CCC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C35H46N6O8S/c1-5-35(2,3)49-34(48)41-27(18-22-20-37-24-14-10-9-13-23(22)24)32(46)38-25(15-16-50-4)31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-11-7-6-8-12-21/h6-14,20,25-28,37H,5,15-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:35]([CH3:2])([CH3:3])[O:49][C:34](=[N:41][C@@H:27]([CH2:18][C:22]1=[CH:20][NH:37][C:24]2=[CH:14][CH:10]=[CH:9][CH:13]=[C:23]12)[C:32](=[N:38][C@@H:25]([CH2:15][CH2:16][S:50][CH3:4])[C:31](=[N:40][C@@H:28]([CH2:19][C:29](=[O:42])[OH:43])[C:33](=[N:39][C@@H:26]([CH2:17][C:21]1=[CH:11][CH:7]=[CH:6][CH:8]=[CH:12]1)[C:30](=[NH:36])[OH:44])[OH:47])[OH:45])[OH:46])[OH:48] |
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