| Properties | Image |
|---|
| MNX_ID | MNXM1100748 |
 |
| reference | chebi:143198 |
| formula | C15H20N4O8 |
| global charge | -2 |
| mol weight | 384.345 |
| InChIKey | RLSXUJSGKUUKFH-DVRYWGNFSA-L |
| InChI | InChI=1S/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-2/t9?,10-,11-/m0/s1 |
| SMILES | O=C([O-])CCC([NH2+][C@@H](CC[NH2+][C@@H](CC1=CNC=N1)C(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/t9?,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:12](=[O:20])[OH:21])[CH:9]([C:13](=[O:22])[OH:23])[NH:19][C@@H:10]([CH2:3][CH2:4][NH:17][C@@H:11]([CH2:5][C:8]1=[CH:6][N:16]=[CH:7][NH:18]1)[C:15](=[O:26])[OH:27])[C:14](=[O:24])[OH:25] |
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