| Properties | Image |
|---|
| MNX_ID | MNXM1127986 |
 |
| reference | chebi:166024 |
| formula | C24H31N3O6 |
| global charge | 0 |
| mol weight | 457.527 |
| InChIKey | KRXFXDCNKLANCP-CXTHYWKRSA-N |
| InChI | InChI=1S/C24H31N3O6/c1-3-14(2)21(24(32)33)27-23(31)20(13-16-6-10-18(29)11-7-16)26-22(30)19(25)12-15-4-8-17(28)9-5-15/h4-11,14,19-21,28-29H,3,12-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t14-,19-,20-,21-/m0/s1 |
| SMILES | CC[C@H](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/c1-3-14(2)21(24(32)33)27-23(31)20(13-16-6-10-18(29)11-7-16)26-22(30)19(25)12-15-4-8-17(28)9-5-15/h4-11,14,19-21,28-29H,3,12-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t14-,19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:14]([CH3:2])[C@@H:21]([C:24](=[O:32])[OH:33])[N:27]=[C:23]([C@H:20]([CH2:13][C:16]1=[CH:7][CH:11]=[C:18]([OH:29])[CH:10]=[CH:6]1)[N:26]=[C:22]([C@H:19]([CH2:12][C:15]1=[CH:5][CH:9]=[C:17]([OH:28])[CH:8]=[CH:4]1)[NH2:25])[OH:30])[OH:31] |
|