| Properties | Image |
|---|
| MNX_ID | MNXM1122226 |
 |
| reference | chebi:159617 |
| formula | C24H31N3O5 |
| global charge | 0 |
| mol weight | 441.528 |
| InChIKey | RDFIVFHPOSOXMW-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H31N3O5/c1-15(2)12-19(25)22(29)26-20(13-17-8-10-18(28)11-9-17)23(30)27-21(24(31)32)14-16-6-4-3-5-7-16/h3-11,15,19-21,28H,12-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t19-,20-,21-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H31N3O5/c1-15(2)12-19(25)22(29)26-20(13-17-8-10-18(28)11-9-17)23(30)27-21(24(31)32)14-16-6-4-3-5-7-16/h3-11,15,19-21,28H,12-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t19-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[CH2:12][C@@H:19]([C:22](=[N:26][C@@H:20]([CH2:13][C:17]1=[CH:9][CH:11]=[C:18]([OH:28])[CH:10]=[CH:8]1)[C:23](=[N:27][C@@H:21]([CH2:14][C:16]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:24](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:25] |
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