| Properties | Image |
|---|
| MNX_ID | MNXM1128147 |
 |
| reference | chebi:166186 |
| formula | C19H27N3O6 |
| global charge | 0 |
| mol weight | 393.44 |
| InChIKey | FOADDSDHGRFUOC-DZKIICNBSA-N |
| InChI | InChI=1S/C19H27N3O6/c1-11(2)16(20)18(26)21-13(8-9-15(23)24)17(25)22-14(19(27)28)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t13-,14-,16-/m0/s1 |
| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O6/c1-11(2)16(20)18(26)21-13(8-9-15(23)24)17(25)22-14(19(27)28)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t13-,14-,16-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[C@@H:16]([C:18](=[N:21][C@@H:13]([CH2:8][CH2:9][C:15](=[O:23])[OH:24])[C:17](=[N:22][C@@H:14]([CH2:10][C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:19](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:20] |
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