| Properties | Image |
| MNX_ID | MNXM1122051 |
 |
| reference | chebi:159440 |
| formula | C20H31N3O4 |
| global charge | 0 |
| mol weight | 377.485 |
| InChIKey | FYPWFNKQVVEELI-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H31N3O4/c1-12(2)10-15(21)18(24)22-16(11-14-8-6-5-7-9-14)19(25)23-17(13(3)4)20(26)27/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C20H31N3O4/c1-12(2)10-15(21)18(24)22-16(11-14-8-6-5-7-9-14)19(25)23-17(13(3)4)20(26)27/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t15-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:10][C@@H:15]([C:18](=[N:22][C@@H:16]([CH2:11][C:14]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[C:19](=[N:23][C@@H:17]([CH:13]([CH3:3])[CH3:4])[C:20](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:21] |
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