| Properties | Image |
| MNX_ID | MNXM1125244 |
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| reference | chebi:162655 |
| formula | C13H23N3O5 |
| global charge | 0 |
| mol weight | 301.343 |
| InChIKey | PRKWBYCXBBSLSK-GUBZILKMSA-N |
| InChI | InChI=1S/C13H23N3O5/c1-7(2)10(13(20)21)16-12(19)9(6-17)15-11(18)8-4-3-5-14-8/h7-10,14,17H,3-6H2,1-2H3,(H,15,18)(H,16,19)(H,20,21)/t8-,9-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O5/c1-7(2)10(13(20)21)16-12(19)9(6-17)15-11(18)8-4-3-5-14-8/h7-10,14,17H,3-6H2,1-2H3,(H,15,18)(H,16,19)(H,20,21)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[C@@H:10]([C:13](=[O:20])[OH:21])[N:16]=[C:12]([C@H:9]([CH2:6][OH:17])[N:15]=[C:11]([C@@H:8]1[CH2:4][CH2:3][CH2:5][NH:14]1)[OH:18])[OH:19] |
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