| Properties | Image |
|---|
| MNX_ID | MNXM1122126 |
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| reference | chebi:159516 |
| formula | C18H27N3O6 |
| global charge | 0 |
| mol weight | 381.429 |
| InChIKey | SQUFDMCWMFOEBA-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H27N3O6/c1-10(2)7-13(19)16(24)21-15(9-22)17(25)20-14(18(26)27)8-11-3-5-12(23)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H27N3O6/c1-10(2)7-13(19)16(24)21-15(9-22)17(25)20-14(18(26)27)8-11-3-5-12(23)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:7][C@@H:13]([C:16](=[N:21][C@@H:15]([CH2:9][OH:22])[C:17](=[N:20][C@@H:14]([CH2:8][C:11]1=[CH:4][CH:6]=[C:12]([OH:23])[CH:5]=[CH:3]1)[C:18](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:19] |
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