| Properties | Image |
|---|
| MNX_ID | MNXM1123433 |
 |
| reference | chebi:160834 |
| formula | C16H29N3O4S |
| global charge | 0 |
| mol weight | 359.492 |
| InChIKey | HZLSUXCMSIBCRV-RVMXOQNASA-N |
| InChI | InChI=1S/C16H29N3O4S/c1-4-10(2)13(18-14(20)11(17)7-9-24-3)15(21)19-8-5-6-12(19)16(22)23/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,11-,12+,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H29N3O4S/c1-4-10(2)13(18-14(20)11(17)7-9-24-3)15(21)19-8-5-6-12(19)16(22)23/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,11-,12+,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:10]([CH3:2])[C@@H:13]([C:15]([N:19]1[CH2:8][CH2:5][CH2:6][C@@H:12]1[C:16](=[O:22])[OH:23])=[O:21])[N:18]=[C:14]([C@H:11]([CH2:7][CH2:9][S:24][CH3:3])[NH2:17])[OH:20] |
|