| Properties | Image |
| MNX_ID | MNXM1123668 |
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| reference | chebi:161070 |
| formula | C13H25N3O5S2 |
| global charge | 0 |
| mol weight | 367.493 |
| InChIKey | FDGAMQVRGORBDV-GUBZILKMSA-N |
| InChI | InChI=1S/C13H25N3O5S2/c1-22-5-3-8(14)11(18)16-10(7-17)12(19)15-9(13(20)21)4-6-23-2/h8-10,17H,3-7,14H2,1-2H3,(H,15,19)(H,16,18)(H,20,21)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O5S2/c1-22-5-3-8(14)11(18)16-10(7-17)12(19)15-9(13(20)21)4-6-23-2/h8-10,17H,3-7,14H2,1-2H3,(H,15,19)(H,16,18)(H,20,21)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:22][CH2:5][CH2:3][C@@H:8]([C:11](=[N:16][C@@H:10]([CH2:7][OH:17])[C:12](=[N:15][C@@H:9]([CH2:4][CH2:6][S:23][CH3:2])[C:13](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:14] |
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