| Properties | Image |
| MNX_ID | MNXM1123610 |
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| reference | chebi:161012 |
| formula | C14H23N3O6S |
| global charge | 0 |
| mol weight | 361.42 |
| InChIKey | WYDFQSJOARJAMM-GUBZILKMSA-N |
| InChI | InChI=1S/C14H23N3O6S/c1-24-6-4-8(15)13(21)17-5-2-3-10(17)12(20)16-9(14(22)23)7-11(18)19/h8-10H,2-7,15H2,1H3,(H,16,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H23N3O6S/c1-24-6-4-8(15)13(21)17-5-2-3-10(17)12(20)16-9(14(22)23)7-11(18)19/h8-10H,2-7,15H2,1H3,(H,16,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:24][CH2:6][CH2:4][C@@H:8]([C:13]([N:17]1[CH2:5][CH2:2][CH2:3][C@H:10]1[C:12](=[N:16][C@@H:9]([CH2:7][C:11](=[O:18])[OH:19])[C:14](=[O:22])[OH:23])[OH:20])=[O:21])[NH2:15] |
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