| Properties | Image |
|---|
| MNX_ID | MNXM1126693 |
 |
| reference | chebi:164108 |
| formula | C15H29N3O5S |
| global charge | 0 |
| mol weight | 363.48 |
| InChIKey | XNTVWRJTUIOGQO-RHYQMDGZSA-N |
| InChI | InChI=1S/C15H29N3O5S/c1-8(2)7-11(15(22)23)18-13(20)10(5-6-24-4)17-14(21)12(16)9(3)19/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10+,11+,12+/m1/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H29N3O5S/c1-8(2)7-11(15(22)23)18-13(20)10(5-6-24-4)17-14(21)12(16)9(3)19/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10+,11+,12+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:7][C@@H:11]([C:15](=[O:22])[OH:23])[N:18]=[C:13]([C@H:10]([CH2:5][CH2:6][S:24][CH3:4])[N:17]=[C:14]([C@H:12]([C@@H:9]([CH3:3])[OH:19])[NH2:16])[OH:21])[OH:20] |
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