| Properties | Image |
|---|
| MNX_ID | MNXM1121900 |
 |
| reference | chebi:159289 |
| formula | C17H33N3O4S |
| global charge | 0 |
| mol weight | 375.535 |
| InChIKey | ZALAVHVPPOHAOL-XUXIUFHCSA-N |
| InChI | InChI=1S/C17H33N3O4S/c1-6-11(4)14(20-15(21)12(18)9-10(2)3)16(22)19-13(17(23)24)7-8-25-5/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t11-,12-,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H33N3O4S/c1-6-11(4)14(20-15(21)12(18)9-10(2)3)16(22)19-13(17(23)24)7-8-25-5/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t11-,12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:11]([CH3:4])[C@@H:14]([C:16](=[N:19][C@@H:13]([CH2:7][CH2:8][S:25][CH3:5])[C:17](=[O:23])[OH:24])[OH:22])[N:20]=[C:15]([C@H:12]([CH2:9][CH:10]([CH3:2])[CH3:3])[NH2:18])[OH:21] |
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