| Properties | Image |
|---|
| MNX_ID | MNXM1121198 |
 |
| reference | chebi:158585 |
| formula | C19H26N4O4S |
| global charge | 0 |
| mol weight | 406.508 |
| InChIKey | CWRBRVZBMVJENN-UVBJJODRSA-N |
| InChI | InChI=1S/C19H26N4O4S/c1-11(20)17(24)23-16(18(25)22-15(19(26)27)7-8-28-2)9-12-10-21-14-6-4-3-5-13(12)14/h3-6,10-11,15-16,21H,7-9,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t11-,15-,16-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](C)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O4S/c1-11(20)17(24)23-16(18(25)22-15(19(26)27)7-8-28-2)9-12-10-21-14-6-4-3-5-13(12)14/h3-6,10-11,15-16,21H,7-9,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t11-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:17](=[N:23][C@@H:16]([CH2:9][C:12]1=[CH:10][NH:21][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:13]12)[C:18](=[N:22][C@@H:15]([CH2:7][CH2:8][S:28][CH3:2])[C:19](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:20] |
|