| Properties | Image |
| MNX_ID | MNXM1123697 |
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| reference | chebi:161099 |
| formula | C11H21N3O5S |
| global charge | 0 |
| mol weight | 307.372 |
| InChIKey | CIIJWIAORKTXAH-FJXKBIBVSA-N |
| InChI | InChI=1S/C11H21N3O5S/c1-6(15)9(11(19)13-5-8(16)17)14-10(18)7(12)3-4-20-2/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,19)(H,14,18)(H,16,17)/t6-,7+,9+/m1/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O5S/c1-6(15)9(11(19)13-5-8(16)17)14-10(18)7(12)3-4-20-2/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,19)(H,14,18)(H,16,17)/t6-,7+,9+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:9]([C:11](=[N:13][CH2:5][C:8](=[O:16])[OH:17])[OH:19])[N:14]=[C:10]([C@H:7]([CH2:3][CH2:4][S:20][CH3:2])[NH2:12])[OH:18])[OH:15] |
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