| Properties | Image |
| MNX_ID | MNXM1128167 |
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| reference | chebi:166206 |
| formula | C16H23N3O4 |
| global charge | 0 |
| mol weight | 321.377 |
| InChIKey | MDYSKHBSPXUOPV-JSGCOSHPSA-N |
| InChI | InChI=1S/C16H23N3O4/c1-10(2)14(17)15(21)18-9-13(20)19-12(16(22)23)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t12-,14-/m0/s1 |
| SMILES | CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O4/c1-10(2)14(17)15(21)18-9-13(20)19-12(16(22)23)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t12-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:14]([C:15](=[N:18][CH2:9][C:13](=[N:19][C@@H:12]([CH2:8][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:16](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:17] |
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