| Properties | Image |
|---|
| MNX_ID | MNXM1122961 |
 |
| reference | chebi:160359 |
| formula | C14H25N7O7 |
| global charge | 0 |
| mol weight | 403.396 |
| InChIKey | CASGONAXMZPHCK-FXQIFTODSA-N |
| InChI | InChI=1S/C14H25N7O7/c15-6(4-10(23)24)11(25)21-8(5-9(16)22)12(26)20-7(13(27)28)2-1-3-19-14(17)18/h6-8H,1-5,15H2,(H2,16,22)(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H4,17,18,19)/t6-,7-,8-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N7O7/c15-6(4-10(23)24)11(25)21-8(5-9(16)22)12(26)20-7(13(27)28)2-1-3-19-14(17)18/h6-8H,1-5,15H2,(H2,16,22)(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H4,17,18,19)/t6-,7-,8-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:7]([C:13](=[O:27])[OH:28])[N:20]=[C:12]([C@H:8]([CH2:5][C:9](=[NH:16])[OH:22])[N:21]=[C:11]([C@H:6]([CH2:4][C:10](=[O:23])[OH:24])[NH2:15])[OH:25])[OH:26])[CH2:3][NH:19][C:14](=[NH:17])[NH2:18] |
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