| Properties | Image |
|---|
| MNX_ID | MNXM1123091 |
 |
| reference | chebi:160491 |
| formula | C15H22N6O7 |
| global charge | 0 |
| mol weight | 398.376 |
| InChIKey | YBMUFUWSMIKJQA-GUBZILKMSA-N |
| InChI | InChI=1S/C15H22N6O7/c16-8(4-12(23)24)13(25)20-9(1-2-11(17)22)14(26)21-10(15(27)28)3-7-5-18-6-19-7/h5-6,8-10H,1-4,16H2,(H2,17,22)(H,18,19)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H22N6O7/c16-8(4-12(23)24)13(25)20-9(1-2-11(17)22)14(26)21-10(15(27)28)3-7-5-18-6-19-7/h5-6,8-10H,1-4,16H2,(H2,17,22)(H,18,19)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C:11](=[NH:17])[OH:22])[C@@H:9]([C:14](=[N:21][C@@H:10]([CH2:3][C:7]1=[CH:5][N:18]=[CH:6][NH:19]1)[C:15](=[O:27])[OH:28])[OH:26])[N:20]=[C:13]([C@H:8]([CH2:4][C:12](=[O:23])[OH:24])[NH2:16])[OH:25] |
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