| Properties | Image |
|---|
| MNX_ID | MNXM1120636 |
 |
| reference | chebi:158017 |
| formula | C22H27N7O5 |
| global charge | 0 |
| mol weight | 469.502 |
| InChIKey | UXZMINKIEWBEQU-SZMVWBNQSA-N |
| InChI | InChI=1S/C22H27N7O5/c23-15(8-13-10-25-11-27-13)20(31)29-18(7-12-9-26-16-4-2-1-3-14(12)16)21(32)28-17(22(33)34)5-6-19(24)30/h1-4,9-11,15,17-18,26H,5-8,23H2,(H2,24,30)(H,25,27)(H,28,32)(H,29,31)(H,33,34)/t15-,17-,18-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H27N7O5/c23-15(8-13-10-25-11-27-13)20(31)29-18(7-12-9-26-16-4-2-1-3-14(12)16)21(32)28-17(22(33)34)5-6-19(24)30/h1-4,9-11,15,17-18,26H,5-8,23H2,(H2,24,30)(H,25,27)(H,28,32)(H,29,31)(H,33,34)/t15-,17-,18-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:16]2[C:14](=[CH:3]1)[C:12]([CH2:7][C@@H:18]([C:21](=[N:28][C@@H:17]([CH2:5][CH2:6][C:19](=[NH:24])[OH:30])[C:22](=[O:33])[OH:34])[OH:32])[N:29]=[C:20]([C@H:15]([CH2:8][C:13]1=[CH:10][N:25]=[CH:11][NH:27]1)[NH2:23])[OH:31])=[CH:9][NH:26]2 |
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