| Properties | Image |
|---|
| MNX_ID | MNXM1123389 |
 |
| reference | chebi:160790 |
| formula | C16H27N5O4S2 |
| global charge | 0 |
| mol weight | 417.557 |
| InChIKey | WRLYTJVPSUBYST-AVGNSLFASA-N |
| InChI | InChI=1S/C16H27N5O4S2/c1-26-5-3-11(17)14(22)21-13(7-10-8-18-9-19-10)15(23)20-12(16(24)25)4-6-27-2/h8-9,11-13H,3-7,17H2,1-2H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H27N5O4S2/c1-26-5-3-11(17)14(22)21-13(7-10-8-18-9-19-10)15(23)20-12(16(24)25)4-6-27-2/h8-9,11-13H,3-7,17H2,1-2H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:26][CH2:5][CH2:3][C@@H:11]([C:14](=[N:21][C@@H:13]([CH2:7][C:10]1=[CH:8][N:18]=[CH:9][NH:19]1)[C:15](=[N:20][C@@H:12]([CH2:4][CH2:6][S:27][CH3:2])[C:16](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:17] |
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