| Properties | Image |
| MNX_ID | MNXM1124434 |
 |
| reference | chebi:161838 |
| formula | C14H27N3O4S |
| global charge | 0 |
| mol weight | 333.454 |
| InChIKey | NGOIQDYZMIKCOK-NAKRPEOUSA-N |
| InChI | InChI=1S/C14H27N3O4S/c1-5-8(4)11(14(20)21)17-13(19)10(7(2)3)16-12(18)9(15)6-22/h7-11,22H,5-6,15H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N3O4S/c1-5-8(4)11(14(20)21)17-13(19)10(7(2)3)16-12(18)9(15)6-22/h7-11,22H,5-6,15H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][C@H:8]([CH3:4])[C@@H:11]([C:14](=[O:20])[OH:21])[N:17]=[C:13]([C@H:10]([CH:7]([CH3:2])[CH3:3])[N:16]=[C:12]([C@H:9]([CH2:6][SH:22])[NH2:15])[OH:18])[OH:19] |
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