| Properties | Image |
|---|
| MNX_ID | MNXM1127347 |
 |
| reference | chebi:164770 |
| formula | C26H33N5O5 |
| global charge | 0 |
| mol weight | 495.58 |
| InChIKey | KWTRGSQOQHZKIA-PMVMPFDFSA-N |
| InChI | InChI=1S/C26H33N5O5/c27-12-4-3-7-22(25(34)31-23(26(35)36)13-16-8-10-18(32)11-9-16)30-24(33)20(28)14-17-15-29-21-6-2-1-5-19(17)21/h1-2,5-6,8-11,15,20,22-23,29,32H,3-4,7,12-14,27-28H2,(H,30,33)(H,31,34)(H,35,36)/t20-,22-,23-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H33N5O5/c27-12-4-3-7-22(25(34)31-23(26(35)36)13-16-8-10-18(32)11-9-16)30-24(33)20(28)14-17-15-29-21-6-2-1-5-19(17)21/h1-2,5-6,8-11,15,20,22-23,29,32H,3-4,7,12-14,27-28H2,(H,30,33)(H,31,34)(H,35,36)/t20-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:21]2[C:19](=[CH:5]1)[C:17]([CH2:14][C@@H:20]([C:24](=[N:30][C@@H:22]([CH2:7][CH2:3][CH2:4][CH2:12][NH2:27])[C:25](=[N:31][C@@H:23]([CH2:13][C:16]1=[CH:9][CH:11]=[C:18]([OH:32])[CH:10]=[CH:8]1)[C:26](=[O:35])[OH:36])[OH:34])[OH:33])[NH2:28])=[CH:15][NH:29]2 |
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