| Properties | Image |
| MNX_ID | MNXM1123468 |
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| reference | chebi:160869 |
| formula | C16H31N3O4S2 |
| global charge | 0 |
| mol weight | 393.575 |
| InChIKey | LBNFTWKGISQVEE-AVGNSLFASA-N |
| InChI | InChI=1S/C16H31N3O4S2/c1-10(2)9-13(19-14(20)11(17)5-7-24-3)15(21)18-12(16(22)23)6-8-25-4/h10-13H,5-9,17H2,1-4H3,(H,18,21)(H,19,20)(H,22,23)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O4S2/c1-10(2)9-13(19-14(20)11(17)5-7-24-3)15(21)18-12(16(22)23)6-8-25-4/h10-13H,5-9,17H2,1-4H3,(H,18,21)(H,19,20)(H,22,23)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:9][C@@H:13]([C:15](=[N:18][C@@H:12]([CH2:6][CH2:8][S:25][CH3:4])[C:16](=[O:22])[OH:23])[OH:21])[N:19]=[C:14]([C@H:11]([CH2:5][CH2:7][S:24][CH3:3])[NH2:17])[OH:20] |
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