| Properties | Image |
|---|
| MNX_ID | MNXM1124563 |
 |
| reference | chebi:161968 |
| formula | C27H29N3O5 |
| global charge | 0 |
| mol weight | 475.545 |
| InChIKey | FRMKIPSIZSFTTE-HJOGWXRNSA-N |
| InChI | InChI=1S/C27H29N3O5/c28-22(15-18-7-3-1-4-8-18)25(32)29-23(16-20-11-13-21(31)14-12-20)26(33)30-24(27(34)35)17-19-9-5-2-6-10-19/h1-14,22-24,31H,15-17,28H2,(H,29,32)(H,30,33)(H,34,35)/t22-,23-,24-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)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/C27H29N3O5/c28-22(15-18-7-3-1-4-8-18)25(32)29-23(16-20-11-13-21(31)14-12-20)26(33)30-24(27(34)35)17-19-9-5-2-6-10-19/h1-14,22-24,31H,15-17,28H2,(H,29,32)(H,30,33)(H,34,35)/t22-,23-,24-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:18]([CH2:15][C@@H:22]([C:25](=[N:29][C@@H:23]([CH2:16][C:20]2=[CH:12][CH:14]=[C:21]([OH:31])[CH:13]=[CH:11]2)[C:26](=[N:30][C@@H:24]([CH2:17][C:19]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)[C:27](=[O:34])[OH:35])[OH:33])[OH:32])[NH2:28])[CH:8]=[CH:4]1 |
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