| Properties | Image |
|---|
| MNX_ID | MNXM1127404 |
 |
| reference | chebi:164830 |
| formula | C27H29N5O4 |
| global charge | 0 |
| mol weight | 487.56 |
| InChIKey | JGLXHHQUSIULAK-OYDLWJJNSA-N |
| InChI | InChI=1S/C27H29N5O4/c28-20(12-16-14-29-21-8-3-1-6-18(16)21)26(34)32-11-5-10-24(32)25(33)31-23(27(35)36)13-17-15-30-22-9-4-2-7-19(17)22/h1-4,6-9,14-15,20,23-24,29-30H,5,10-13,28H2,(H,31,33)(H,35,36)/t20-,23-,24-/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H29N5O4/c28-20(12-16-14-29-21-8-3-1-6-18(16)21)26(34)32-11-5-10-24(32)25(33)31-23(27(35)36)13-17-15-30-22-9-4-2-7-19(17)22/h1-4,6-9,14-15,20,23-24,29-30H,5,10-13,28H2,(H,31,33)(H,35,36)/t20-,23-,24-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:8]=[C:21]2[C:18](=[CH:6]1)[C:16]([CH2:12][C@@H:20]([C:26]([N:32]1[CH2:11][CH2:5][CH2:10][C@H:24]1[C:25](=[N:31][C@@H:23]([CH2:13][C:17]1=[CH:15][NH:30][C:22]3=[CH:9][CH:4]=[CH:2][CH:7]=[C:19]13)[C:27](=[O:35])[OH:36])[OH:33])=[O:34])[NH2:28])=[CH:14][NH:29]2 |
|