| Properties | Image |
|---|
| MNX_ID | MNXM1123819 |
 |
| reference | chebi:161221 |
| formula | C16H31N3O4S |
| global charge | 0 |
| mol weight | 361.508 |
| InChIKey | KPVLLNDCBYXKNV-CYDGBPFRSA-N |
| InChI | InChI=1S/C16H31N3O4S/c1-6-10(4)13(16(22)23)19-15(21)12(9(2)3)18-14(20)11(17)7-8-24-5/h9-13H,6-8,17H2,1-5H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O4S/c1-6-10(4)13(16(22)23)19-15(21)12(9(2)3)18-14(20)11(17)7-8-24-5/h9-13H,6-8,17H2,1-5H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:10]([CH3:4])[C@@H:13]([C:16](=[O:22])[OH:23])[N:19]=[C:15]([C@H:12]([CH:9]([CH3:2])[CH3:3])[N:18]=[C:14]([C@H:11]([CH2:7][CH2:8][S:24][CH3:5])[NH2:17])[OH:20])[OH:21] |
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