| Properties | Image |
|---|
| MNX_ID | MNXM1121497 |
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| reference | chebi:158885 |
| formula | C24H31N3O6 |
| global charge | 0 |
| mol weight | 457.527 |
| InChIKey | NXRNRBOKDBIVKQ-CXTHYWKRSA-N |
| InChI | InChI=1S/C24H31N3O6/c1-3-14(2)21(25)23(31)26-19(12-15-4-8-17(28)9-5-15)22(30)27-20(24(32)33)13-16-6-10-18(29)11-7-16/h4-11,14,19-21,28-29H,3,12-13,25H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t14-,19-,20-,21-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H31N3O6/c1-3-14(2)21(25)23(31)26-19(12-15-4-8-17(28)9-5-15)22(30)27-20(24(32)33)13-16-6-10-18(29)11-7-16/h4-11,14,19-21,28-29H,3,12-13,25H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t14-,19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:14]([CH3:2])[C@@H:21]([C:23](=[N:26][C@@H:19]([CH2:12][C:15]1=[CH:5][CH:9]=[C:17]([OH:28])[CH:8]=[CH:4]1)[C:22](=[N:27][C@@H:20]([CH2:13][C:16]1=[CH:7][CH:11]=[C:18]([OH:29])[CH:10]=[CH:6]1)[C:24](=[O:32])[OH:33])[OH:30])[OH:31])[NH2:25] |
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