| Properties | Image |
|---|
| MNX_ID | MNXM1123392 |
 |
| reference | chebi:160793 |
| formula | C16H25N5O4S |
| global charge | 0 |
| mol weight | 383.474 |
| InChIKey | ULLIQRYQNMAAHC-RWMBFGLXSA-N |
| InChI | InChI=1S/C16H25N5O4S/c1-26-6-4-11(17)14(22)20-12(7-10-8-18-9-19-10)15(23)21-5-2-3-13(21)16(24)25/h8-9,11-13H,2-7,17H2,1H3,(H,18,19)(H,20,22)(H,24,25)/t11-,12-,13+/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O4S/c1-26-6-4-11(17)14(22)20-12(7-10-8-18-9-19-10)15(23)21-5-2-3-13(21)16(24)25/h8-9,11-13H,2-7,17H2,1H3,(H,18,19)(H,20,22)(H,24,25)/t11-,12-,13+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:26][CH2:6][CH2:4][C@@H:11]([C:14](=[N:20][C@@H:12]([CH2:7][C:10]1=[CH:8][N:18]=[CH:9][NH:19]1)[C:15]([N:21]1[CH2:5][CH2:2][CH2:3][C@@H:13]1[C:16](=[O:24])[OH:25])=[O:23])[OH:22])[NH2:17] |
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