| Properties | Image |
|---|
| MNX_ID | MNXM1122145 |
 |
| reference | chebi:159535 |
| formula | C16H31N3O5 |
| global charge | 0 |
| mol weight | 345.44 |
| InChIKey | QWWPYKKLXWOITQ-VOAKCMCISA-N |
| InChI | InChI=1S/C16H31N3O5/c1-8(2)6-11(17)14(21)19-13(10(5)20)15(22)18-12(16(23)24)7-9(3)4/h8-13,20H,6-7,17H2,1-5H3,(H,18,22)(H,19,21)(H,23,24)/t10-,11+,12+,13+/m1/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O5/c1-8(2)6-11(17)14(21)19-13(10(5)20)15(22)18-12(16(23)24)7-9(3)4/h8-13,20H,6-7,17H2,1-5H3,(H,18,22)(H,19,21)(H,23,24)/t10-,11+,12+,13+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:11]([C:14](=[N:19][C@@H:13]([C@@H:10]([CH3:5])[OH:20])[C:15](=[N:18][C@@H:12]([CH2:7][CH:9]([CH3:3])[CH3:4])[C:16](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:17] |
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