| Properties | Image |
| MNX_ID | MNXM1125035 |
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| reference | chebi:162445 |
| formula | C16H27N3O4 |
| global charge | 0 |
| mol weight | 325.409 |
| InChIKey | MCWHYUWXVNRXFV-RWMBFGLXSA-N |
| InChI | InChI=1S/C16H27N3O4/c1-10(2)9-12(18-14(20)11-5-3-7-17-11)15(21)19-8-4-6-13(19)16(22)23/h10-13,17H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t11-,12-,13+/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H27N3O4/c1-10(2)9-12(18-14(20)11-5-3-7-17-11)15(21)19-8-4-6-13(19)16(22)23/h10-13,17H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t11-,12-,13+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:9][C@@H:12]([C:15]([N:19]1[CH2:8][CH2:4][CH2:6][C@@H:13]1[C:16](=[O:22])[OH:23])=[O:21])[N:18]=[C:14]([C@@H:11]1[CH2:5][CH2:3][CH2:7][NH:17]1)[OH:20] |
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