| Properties | Image |
| MNX_ID | MNXM339038 |
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| reference | chebi:126381 |
| formula | C21H29N3O4 |
| global charge | 0 |
| mol weight | 387.48 |
| InChIKey | BPUIWZWXAYCJKI-FXAWDEMLSA-N |
| InChI | InChI=1S/C21H29N3O4/c1-2-18(26)24-17(13-25)20(16-6-4-3-5-7-16)21(24)14-23(15-21)19(27)12-22-8-10-28-11-9-22/h3-7,17,20,25H,2,8-15H2,1H3/t17-,20+/m0/s1 |
| SMILES | CCC(=O)N1[C@@H](CO)[C@@H](C2=CC=CC=C2)C12CN(C(=O)CN1CCOCC1)C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H29N3O4/c1-2-18(26)24-17(13-25)20(16-6-4-3-5-7-16)21(24)14-23(15-21)19(27)12-22-8-10-28-11-9-22/h3-7,17,20,25H,2,8-15H2,1H3/t17-,20+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][C:18]([N:24]1[C@@H:17]([CH2:13][OH:25])[C@@H:20]([C:16]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[C:21]12[CH2:14][N:23]([C:19]([CH2:12][N:22]1[CH2:8][CH2:10][O:28][CH2:11][CH2:9]1)=[O:27])[CH2:15]2)=[O:26] |
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