| Properties | Image |
|---|
| MNX_ID | MNXM1124803 |
 |
| reference | chebi:162209 |
| formula | C15H24N6O6 |
| global charge | 0 |
| mol weight | 384.393 |
| InChIKey | GXMBDEGTXHQBAO-NKIYYHGXSA-N |
| InChI | InChI=1S/C15H24N6O6/c1-7(22)12(15(26)27)21-14(25)10(4-8-5-18-6-19-8)20-13(24)9(16)2-3-11(17)23/h5-7,9-10,12,22H,2-4,16H2,1H3,(H2,17,23)(H,18,19)(H,20,24)(H,21,25)(H,26,27)/t7-,9+,10+,12+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H24N6O6/c1-7(22)12(15(26)27)21-14(25)10(4-8-5-18-6-19-8)20-13(24)9(16)2-3-11(17)23/h5-7,9-10,12,22H,2-4,16H2,1H3,(H2,17,23)(H,18,19)(H,20,24)(H,21,25)(H,26,27)/t7-,9+,10+,12+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]([C@@H:12]([C:15](=[O:26])[OH:27])[N:21]=[C:14]([C@H:10]([CH2:4][C:8]1=[CH:5][N:18]=[CH:6][NH:19]1)[N:20]=[C:13]([C@H:9]([CH2:2][CH2:3][C:11](=[NH:17])[OH:23])[NH2:16])[OH:24])[OH:25])[OH:22] |
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