| Properties | Image |
|---|
| MNX_ID | MNXM1121169 |
 |
| reference | chebi:158556 |
| formula | C21H33N3O4 |
| global charge | 0 |
| mol weight | 391.512 |
| InChIKey | IOVUXUSIGXCREV-DKIMLUQUSA-N |
| InChI | InChI=1S/C21H33N3O4/c1-5-14(4)18(22)20(26)23-16(11-13(2)3)19(25)24-17(21(27)28)12-15-9-7-6-8-10-15/h6-10,13-14,16-18H,5,11-12,22H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/t14-,16-,17-,18-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H33N3O4/c1-5-14(4)18(22)20(26)23-16(11-13(2)3)19(25)24-17(21(27)28)12-15-9-7-6-8-10-15/h6-10,13-14,16-18H,5,11-12,22H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/t14-,16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:14]([CH3:4])[C@@H:18]([C:20](=[N:23][C@@H:16]([CH2:11][CH:13]([CH3:2])[CH3:3])[C:19](=[N:24][C@@H:17]([CH2:12][C:15]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[C:21](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:22] |
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