| Properties | Image |
|---|
| MNX_ID | MNXM1128212 |
 |
| reference | chebi:166251 |
| formula | C20H31N3O5 |
| global charge | 0 |
| mol weight | 393.484 |
| InChIKey | BZWUSZGQOILYEU-STECZYCISA-N |
| InChI | InChI=1S/C20H31N3O5/c1-5-12(4)17(23-18(25)16(21)11(2)3)19(26)22-15(20(27)28)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H31N3O5/c1-5-12(4)17(23-18(25)16(21)11(2)3)19(26)22-15(20(27)28)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:12]([CH3:4])[C@@H:17]([C:19](=[N:22][C@@H:15]([CH2:10][C:13]1=[CH:7][CH:9]=[C:14]([OH:24])[CH:8]=[CH:6]1)[C:20](=[O:27])[OH:28])[OH:26])[N:23]=[C:18]([C@H:16]([CH:11]([CH3:2])[CH3:3])[NH2:21])[OH:25] |
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