| Properties | Image |
| MNX_ID | MNXM1124793 |
 |
| reference | chebi:162198 |
| formula | C14H25N3O4S |
| global charge | 0 |
| mol weight | 331.438 |
| InChIKey | NOXSEHJOXCWRHK-DCAQKATOSA-N |
| InChI | InChI=1S/C14H25N3O4S/c1-8(2)6-10(14(20)21)16-13(19)11(7-22)17-12(18)9-4-3-5-15-9/h8-11,15,22H,3-7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O4S/c1-8(2)6-10(14(20)21)16-13(19)11(7-22)17-12(18)9-4-3-5-15-9/h8-11,15,22H,3-7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:10]([C:14](=[O:20])[OH:21])[N:16]=[C:13]([C@H:11]([CH2:7][SH:22])[N:17]=[C:12]([C@@H:9]1[CH2:4][CH2:3][CH2:5][NH:15]1)[OH:18])[OH:19] |
|