| Properties | Image |
|---|
| MNX_ID | MNXM1124450 |
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| reference | chebi:161854 |
| formula | C19H26N4O4S |
| global charge | 0 |
| mol weight | 406.508 |
| InChIKey | ATFSDBMHRCDLBV-BPUTZDHNSA-N |
| InChI | InChI=1S/C19H26N4O4S/c1-10(2)16(23-17(24)13(20)9-28)18(25)22-15(19(26)27)7-11-8-21-14-6-4-3-5-12(11)14/h3-6,8,10,13,15-16,21,28H,7,9,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O4S/c1-10(2)16(23-17(24)13(20)9-28)18(25)22-15(19(26)27)7-11-8-21-14-6-4-3-5-12(11)14/h3-6,8,10,13,15-16,21,28H,7,9,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:16]([C:18](=[N:22][C@@H:15]([CH2:7][C:11]1=[CH:8][NH:21][C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[C:19](=[O:26])[OH:27])[OH:25])[N:23]=[C:17]([C@H:13]([CH2:9][SH:28])[NH2:20])[OH:24] |
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