| Properties | Image |
|---|
| MNX_ID | MNXM1121243 |
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| reference | chebi:158630 |
| formula | C17H33N3O4S |
| global charge | 0 |
| mol weight | 375.535 |
| InChIKey | WSSGUVAKYCQSCT-XUXIUFHCSA-N |
| InChI | InChI=1S/C17H33N3O4S/c1-6-11(4)14(18)16(22)19-12(7-8-25-5)15(21)20-13(17(23)24)9-10(2)3/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](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H33N3O4S/c1-6-11(4)14(18)16(22)19-12(7-8-25-5)15(21)20-13(17(23)24)9-10(2)3/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:12]([CH2:7][CH2:8][S:25][CH3:5])[C:15](=[N:20][C@@H:13]([CH2:9][CH:10]([CH3:2])[CH3:3])[C:17](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:18] |
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