| Properties | Image |
|---|
| MNX_ID | MNXM1121261 |
 |
| reference | chebi:158648 |
| formula | C16H31N3O4S |
| global charge | 0 |
| mol weight | 361.508 |
| InChIKey | SNHYFFQZRFIRHO-CYDGBPFRSA-N |
| InChI | InChI=1S/C16H31N3O4S/c1-6-10(4)12(17)15(21)18-11(7-8-24-5)14(20)19-13(9(2)3)16(22)23/h9-13H,6-8,17H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O4S/c1-6-10(4)12(17)15(21)18-11(7-8-24-5)14(20)19-13(9(2)3)16(22)23/h9-13H,6-8,17H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:10]([CH3:4])[C@@H:12]([C:15](=[N:18][C@@H:11]([CH2:7][CH2:8][S:24][CH3:5])[C:14](=[N:19][C@@H:13]([CH:9]([CH3:2])[CH3:3])[C:16](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:17] |
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