| Properties | Image |
| MNX_ID | MNXM1125894 |
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| reference | chebi:163308 |
| formula | C13H23N3O7S |
| global charge | 0 |
| mol weight | 365.408 |
| InChIKey | NIOYDASGXWLHEZ-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H23N3O7S/c1-24-5-4-8(15-11(20)7(14)6-17)12(21)16-9(13(22)23)2-3-10(18)19/h7-9,17H,2-6,14H2,1H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t7-,8-,9-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O7S/c1-24-5-4-8(15-11(20)7(14)6-17)12(21)16-9(13(22)23)2-3-10(18)19/h7-9,17H,2-6,14H2,1H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:24][CH2:5][CH2:4][C@@H:8]([C:12](=[N:16][C@@H:9]([CH2:2][CH2:3][C:10](=[O:18])[OH:19])[C:13](=[O:22])[OH:23])[OH:21])[N:15]=[C:11]([C@H:7]([CH2:6][OH:17])[NH2:14])[OH:20] |
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