| Properties | Image |
|---|
| MNX_ID | MNXM1122031 |
 |
| reference | chebi:159420 |
| formula | C21H33N3O4 |
| global charge | 0 |
| mol weight | 391.512 |
| InChIKey | SYRTUBLKWNDSDK-DKIMLUQUSA-N |
| InChI | InChI=1S/C21H33N3O4/c1-5-14(4)18(21(27)28)24-20(26)17(12-15-9-7-6-8-10-15)23-19(25)16(22)11-13(2)3/h6-10,13-14,16-18H,5,11-12,22H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t14-,16-,17-,18-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H33N3O4/c1-5-14(4)18(21(27)28)24-20(26)17(12-15-9-7-6-8-10-15)23-19(25)16(22)11-13(2)3/h6-10,13-14,16-18H,5,11-12,22H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t14-,16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:14]([CH3:4])[C@@H:18]([C:21](=[O:27])[OH:28])[N:24]=[C:20]([C@H:17]([CH2:12][C:15]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[N:23]=[C:19]([C@H:16]([CH2:11][CH:13]([CH3:2])[CH3:3])[NH2:22])[OH:25])[OH:26] |
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