| Properties | Image |
|---|
| MNX_ID | MNXM1122040 |
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| reference | chebi:159429 |
| formula | C24H31N3O4 |
| global charge | 0 |
| mol weight | 425.529 |
| InChIKey | MJWVXZABPOKJJF-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H31N3O4/c1-16(2)13-19(25)22(28)26-20(14-17-9-5-3-6-10-17)23(29)27-21(24(30)31)15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15,25H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t19-,20-,21-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H31N3O4/c1-16(2)13-19(25)22(28)26-20(14-17-9-5-3-6-10-17)23(29)27-21(24(30)31)15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15,25H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:13][C@@H:19]([C:22](=[N:26][C@@H:20]([CH2:14][C:17]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)[C:23](=[N:27][C@@H:21]([CH2:15][C:18]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1)[C:24](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:25] |
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