| Properties | Image |
| MNX_ID | MNXM1123277 |
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| reference | chebi:160677 |
| formula | C13H23N3O6S |
| global charge | 0 |
| mol weight | 349.409 |
| InChIKey | AITKTFCQOBRJTG-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H23N3O6S/c1-6(2)3-8(12(20)16-9(5-23)13(21)22)15-11(19)7(14)4-10(17)18/h6-9,23H,3-5,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O6S/c1-6(2)3-8(12(20)16-9(5-23)13(21)22)15-11(19)7(14)4-10(17)18/h6-9,23H,3-5,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:3][C@@H:8]([C:12](=[N:16][C@@H:9]([CH2:5][SH:23])[C:13](=[O:21])[OH:22])[OH:20])[N:15]=[C:11]([C@H:7]([CH2:4][C:10](=[O:17])[OH:18])[NH2:14])[OH:19] |
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