| Properties | Image |
|---|
| MNX_ID | MNXM1125942 |
 |
| reference | chebi:163356 |
| formula | C23H27N3O7 |
| global charge | 0 |
| mol weight | 457.483 |
| InChIKey | PMSDOVISAARGAV-FHWLQOOXSA-N |
| InChI | InChI=1S/C23H27N3O7/c24-17(10-11-20(28)29)21(30)25-18(12-15-6-8-16(27)9-7-15)22(31)26-19(23(32)33)13-14-4-2-1-3-5-14/h1-9,17-19,27H,10-13,24H2,(H,25,30)(H,26,31)(H,28,29)(H,32,33)/t17-,18-,19-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)O)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/C23H27N3O7/c24-17(10-11-20(28)29)21(30)25-18(12-15-6-8-16(27)9-7-15)22(31)26-19(23(32)33)13-14-4-2-1-3-5-14/h1-9,17-19,27H,10-13,24H2,(H,25,30)(H,26,31)(H,28,29)(H,32,33)/t17-,18-,19-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]([CH2:13][C@@H:19]([C:23](=[O:32])[OH:33])[N:26]=[C:22]([C@H:18]([CH2:12][C:15]2=[CH:7][CH:9]=[C:16]([OH:27])[CH:8]=[CH:6]2)[N:25]=[C:21]([C@H:17]([CH2:10][CH2:11][C:20](=[O:28])[OH:29])[NH2:24])[OH:30])[OH:31])[CH:5]=[CH:3]1 |
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