| Properties | Image |
| MNX_ID | MNXM1125430 |
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| reference | chebi:162842 |
| formula | C11H21N3O5S |
| global charge | 0 |
| mol weight | 307.372 |
| InChIKey | IYCBDVBJWDXQRR-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O5S/c1-6(13-10(17)7(12)5-15)9(16)14-8(11(18)19)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O5S/c1-6(13-10(17)7(12)5-15)9(16)14-8(11(18)19)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:9](=[N:14][C@@H:8]([CH2:3][CH2:4][S:20][CH3:2])[C:11](=[O:18])[OH:19])[OH:16])[N:13]=[C:10]([C@H:7]([CH2:5][OH:15])[NH2:12])[OH:17] |
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