| Properties | Image |
| MNX_ID | MNXM171470 |
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| reference | chebi:130990 |
| formula | C22H31N3O3 |
| global charge | 0 |
| mol weight | 385.508 |
| InChIKey | OTKFBCIOELUYNZ-MOPGFXCFSA-N |
| InChI | InChI=1S/C22H31N3O3/c1-15(2)23-21(28)24-13-22(14-24)19(16-8-4-3-5-9-16)18(12-26)25(22)20(27)17-10-6-7-11-17/h3-5,8-9,15,17-19,26H,6-7,10-14H2,1-2H3,(H,23,28)/t18-,19+/m1/s1 |
| SMILES | CC(C)NC(=O)N1CC2(C1)[C@@H](C1=CC=CC=C1)[C@@H](CO)N2C(=O)C1CCCC1 |
MNX internals
| InChI (mnx) | InChI=1/C22H31N3O3/c1-15(2)23-21(28)24-13-22(14-24)19(16-8-4-3-5-9-16)18(12-26)25(22)20(27)17-10-6-7-11-17/h3-5,8-9,15,17-19,26H,6-7,10-14H2,1-2H3,(H,23,28)/t18-,19+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[N:23]=[C:21]([N:24]1[CH2:13][C:22]2([CH2:14]1)[C@@H:19]([C:16]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[C@@H:18]([CH2:12][OH:26])[N:25]2[C:20]([CH:17]1[CH2:10][CH2:6][CH2:7][CH2:11]1)=[O:27])[OH:28] |
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