| Properties | Image |
|---|
| MNX_ID | MNXM1121127 |
 |
| reference | chebi:158514 |
| formula | C17H33N3O4S |
| global charge | 0 |
| mol weight | 375.535 |
| InChIKey | MTONDYJJCIBZTK-PEDHHIEDSA-N |
| InChI | InChI=1S/C17H33N3O4S/c1-6-10(3)13(18)15(21)20-14(11(4)7-2)16(22)19-12(17(23)24)8-9-25-5/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C17H33N3O4S/c1-6-10(3)13(18)15(21)20-14(11(4)7-2)16(22)19-12(17(23)24)8-9-25-5/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][C@H:10]([CH3:3])[C@@H:13]([C:15](=[N:20][C@@H:14]([C@@H:11]([CH3:4])[CH2:7][CH3:2])[C:16](=[N:19][C@@H:12]([CH2:8][CH2:9][S:25][CH3:5])[C:17](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:18] |
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