| Properties | Image |
|---|
| MNX_ID | MNXM1125164 |
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| reference | chebi:162574 |
| formula | C23H27N3O5 |
| global charge | 0 |
| mol weight | 425.485 |
| InChIKey | HOTVCUAVDQHUDB-UFYCRDLUSA-N |
| InChI | InChI=1S/C23H27N3O5/c27-17-10-8-16(9-11-17)14-20(23(30)31)26-22(29)19(13-15-5-2-1-3-6-15)25-21(28)18-7-4-12-24-18/h1-3,5-6,8-11,18-20,24,27H,4,7,12-14H2,(H,25,28)(H,26,29)(H,30,31)/t18-,19-,20-/m0/s1 |
| SMILES | O=C(O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C23H27N3O5/c27-17-10-8-16(9-11-17)14-20(23(30)31)26-22(29)19(13-15-5-2-1-3-6-15)25-21(28)18-7-4-12-24-18/h1-3,5-6,8-11,18-20,24,27H,4,7,12-14H2,(H,25,28)(H,26,29)(H,30,31)/t18-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:15]([CH2:13][C@@H:19]([C:22](=[N:26][C@@H:20]([CH2:14][C:16]2=[CH:9][CH:11]=[C:17]([OH:27])[CH:10]=[CH:8]2)[C:23](=[O:30])[OH:31])[OH:29])[N:25]=[C:21]([C@@H:18]2[CH2:7][CH2:4][CH2:12][NH:24]2)[OH:28])[CH:6]=[CH:3]1 |
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