| Properties | Image |
|---|
| MNX_ID | MNXM1124358 |
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| reference | chebi:161762 |
| formula | C23H27N3O6 |
| global charge | 0 |
| mol weight | 441.484 |
| InChIKey | RYQWALWYQWBUKN-FHWLQOOXSA-N |
| InChI | InChI=1S/C23H27N3O6/c24-17(13-15-7-3-1-4-8-15)21(29)26-19(14-16-9-5-2-6-10-16)22(30)25-18(23(31)32)11-12-20(27)28/h1-10,17-19H,11-14,24H2,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H27N3O6/c24-17(13-15-7-3-1-4-8-15)21(29)26-19(14-16-9-5-2-6-10-16)22(30)25-18(23(31)32)11-12-20(27)28/h1-10,17-19H,11-14,24H2,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:15]([CH2:13][C@@H:17]([C:21](=[N:26][C@@H:19]([CH2:14][C:16]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)[C:22](=[N:25][C@@H:18]([CH2:11][CH2:12][C:20](=[O:27])[OH:28])[C:23](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:24])[CH:8]=[CH:4]1 |
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