| Properties | Image |
|---|
| MNX_ID | MNXM744652 |
 |
| reference | biggM:asphispro |
| formula | C15H20N5O6 |
| global charge | -1 |
| mol weight | 366.354 |
| InChIKey | UBPMOJLRVMGTOQ-VWYCJHECSA-M |
| InChI | InChI=1S/C15H21N5O6/c16-9(5-12(21)22)13(23)19-10(4-8-6-17-7-18-8)14(24)20-3-1-2-11(20)15(25)26/h6-7,9-11H,1-5,16H2,(H,17,18)(H,19,23)(H,21,22)(H,25,26)/p-1/t9-,10+,11+/m1/s1 |
| SMILES | [NH3+][C@H](CC(=O)[O-])C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C15H21N5O6/c16-9(5-12(21)22)13(23)19-10(4-8-6-17-7-18-8)14(24)20-3-1-2-11(20)15(25)26/h6-7,9-11H,1-5,16H2,(H,17,18)(H,19,23)(H,21,22)(H,25,26)/t9-,10+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:11]([C:15](=[O:25])[OH:26])[N:20]([C:14]([C@H:10]([CH2:4][C:8]2=[CH:6][N:17]=[CH:7][NH:18]2)[N:19]=[C:13]([C@@H:9]([CH2:5][C:12](=[O:21])[OH:22])[NH2:16])[OH:23])=[O:24])[CH2:3]1 |
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