| Properties | Image |
| MNX_ID | MNXM1128227 |
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| reference | chebi:166267 |
| formula | C20H31N3O4 |
| global charge | 0 |
| mol weight | 377.485 |
| InChIKey | ZZGPVSZDZQRJQY-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H31N3O4/c1-12(2)10-15(22-19(25)17(21)13(3)4)18(24)23-16(20(26)27)11-14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H31N3O4/c1-12(2)10-15(22-19(25)17(21)13(3)4)18(24)23-16(20(26)27)11-14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,25)(H,23,24)(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:23][C@@H:16]([CH2:11][C:14]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[C:20](=[O:26])[OH:27])[OH:24])[N:22]=[C:19]([C@H:17]([CH:13]([CH3:3])[CH3:4])[NH2:21])[OH:25] |
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