| Properties | Image |
| MNX_ID | MNXM1122246 |
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| reference | chebi:159637 |
| formula | C14H27N3O4S |
| global charge | 0 |
| mol weight | 333.454 |
| InChIKey | TUIOUEWKFFVNLH-DCAQKATOSA-N |
| InChI | InChI=1S/C14H27N3O4S/c1-7(2)5-9(15)12(18)17-11(8(3)4)13(19)16-10(6-22)14(20)21/h7-11,22H,5-6,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C14H27N3O4S/c1-7(2)5-9(15)12(18)17-11(8(3)4)13(19)16-10(6-22)14(20)21/h7-11,22H,5-6,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:9]([C:12](=[N:17][C@@H:11]([CH:8]([CH3:3])[CH3:4])[C:13](=[N:16][C@@H:10]([CH2:6][SH:22])[C:14](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:15] |
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