| Properties | Image |
|---|
| MNX_ID | MNXM1127013 |
 |
| reference | chebi:164430 |
| formula | C17H28N8O6 |
| global charge | 0 |
| mol weight | 440.461 |
| InChIKey | IMCHNUANCIGUKS-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H28N8O6/c18-10(6-9-7-21-8-23-9)14(28)24-11(3-4-13(26)27)15(29)25-12(16(30)31)2-1-5-22-17(19)20/h7-8,10-12H,1-6,18H2,(H,21,23)(H,24,28)(H,25,29)(H,26,27)(H,30,31)(H4,19,20,22)/t10-,11-,12-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N8O6/c18-10(6-9-7-21-8-23-9)14(28)24-11(3-4-13(26)27)15(29)25-12(16(30)31)2-1-5-22-17(19)20/h7-8,10-12H,1-6,18H2,(H,21,23)(H,24,28)(H,25,29)(H,26,27)(H,30,31)(H4,19,20,22)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:12]([C:16](=[O:30])[OH:31])[N:25]=[C:15]([C@H:11]([CH2:3][CH2:4][C:13](=[O:26])[OH:27])[N:24]=[C:14]([C@H:10]([CH2:6][C:9]1=[CH:7][N:21]=[CH:8][NH:23]1)[NH2:18])[OH:28])[OH:29])[CH2:5][NH:22][C:17](=[NH:19])[NH2:20] |
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