| Properties | Image |
| MNX_ID | MNXM168950 |
 |
| reference | metacycM:CPD-18253 |
| formula | C14H23N2O5S |
| global charge | -1 |
| mol weight | 331.414 |
| InChIKey | IBCOWJQKPHCZEK-QWRGUYRKSA-M |
| InChI | InChI=1S/C14H24N2O5S/c1-8(2)7-11(16-12(18)9(3)17)13(19)15-10(14(20)21)5-6-22-4/h8,10-11H,5-7H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/p-1/t10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(C)=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C14H24N2O5S/c1-8(2)7-11(16-12(18)9(3)17)13(19)15-10(14(20)21)5-6-22-4/h8,10-11H,5-7H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:7][C@@H:11]([C:13](=[N:15][C@@H:10]([CH2:5][CH2:6][S:22][CH3:4])[C:14](=[O:20])[OH:21])[OH:19])[NH:16][C:12]([C:9]([CH3:3])=[O:17])=[O:18] |
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