| Properties | Image |
|---|
| MNX_ID | MNXM1127987 |
 |
| reference | chebi:166025 |
| formula | C24H31N3O6 |
| global charge | 0 |
| mol weight | 457.527 |
| InChIKey | HZDQUVQEVVYDDA-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H31N3O6/c1-14(2)11-21(24(32)33)27-23(31)20(13-16-5-9-18(29)10-6-16)26-22(30)19(25)12-15-3-7-17(28)8-4-15/h3-10,14,19-21,28-29H,11-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t19-,20-,21-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H31N3O6/c1-14(2)11-21(24(32)33)27-23(31)20(13-16-5-9-18(29)10-6-16)26-22(30)19(25)12-15-3-7-17(28)8-4-15/h3-10,14,19-21,28-29H,11-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:11][C@@H:21]([C:24](=[O:32])[OH:33])[N:27]=[C:23]([C@H:20]([CH2:13][C:16]1=[CH:6][CH:10]=[C:18]([OH:29])[CH:9]=[CH:5]1)[N:26]=[C:22]([C@H:19]([CH2:12][C:15]1=[CH:4][CH:8]=[C:17]([OH:28])[CH:7]=[CH:3]1)[NH2:25])[OH:30])[OH:31] |
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