| Properties | Image |
| MNX_ID | MNXM1121696 |
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| reference | chebi:159085 |
| formula | C14H25N3O6S |
| global charge | 0 |
| mol weight | 363.436 |
| InChIKey | KWURTLAFFDOTEQ-GUBZILKMSA-N |
| InChI | InChI=1S/C14H25N3O6S/c1-7(2)5-8(15)12(20)17-10(6-24)13(21)16-9(14(22)23)3-4-11(18)19/h7-10,24H,3-6,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O6S/c1-7(2)5-8(15)12(20)17-10(6-24)13(21)16-9(14(22)23)3-4-11(18)19/h7-10,24H,3-6,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:8]([C:12](=[N:17][C@@H:10]([CH2:6][SH:24])[C:13](=[N:16][C@@H:9]([CH2:3][CH2:4][C:11](=[O:18])[OH:19])[C:14](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:15] |
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