| Properties | Image |
| MNX_ID | MNXM1123665 |
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| reference | chebi:161067 |
| formula | C14H27N3O5S |
| global charge | 0 |
| mol weight | 349.453 |
| InChIKey | HLZORBMOISUNIV-DCAQKATOSA-N |
| InChI | InChI=1S/C14H27N3O5S/c1-8(2)6-10(14(21)22)16-13(20)11(7-18)17-12(19)9(15)4-5-23-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N3O5S/c1-8(2)6-10(14(21)22)16-13(20)11(7-18)17-12(19)9(15)4-5-23-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:10]([C:14](=[O:21])[OH:22])[N:16]=[C:13]([C@H:11]([CH2:7][OH:18])[N:17]=[C:12]([C@H:9]([CH2:4][CH2:5][S:23][CH3:3])[NH2:15])[OH:19])[OH:20] |
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