| Properties | Image |
| MNX_ID | MNXM1124461 |
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| reference | chebi:161865 |
| formula | C17H25N3O5 |
| global charge | 0 |
| mol weight | 351.403 |
| InChIKey | MVIJMIZJPHQGEN-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H25N3O5/c1-10(2)14(17(24)25)20-16(23)13(9-21)19-15(22)12(18)8-11-6-4-3-5-7-11/h3-7,10,12-14,21H,8-9,18H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)/t12-,13-,14-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N3O5/c1-10(2)14(17(24)25)20-16(23)13(9-21)19-15(22)12(18)8-11-6-4-3-5-7-11/h3-7,10,12-14,21H,8-9,18H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:14]([C:17](=[O:24])[OH:25])[N:20]=[C:16]([C@H:13]([CH2:9][OH:21])[N:19]=[C:15]([C@H:12]([CH2:8][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[NH2:18])[OH:22])[OH:23] |
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