| Properties | Image |
|---|
| MNX_ID | MNXM1126208 |
 |
| reference | chebi:163622 |
| formula | C12H22N4O6 |
| global charge | 0 |
| mol weight | 318.33 |
| InChIKey | DDPVJPIGACCMEH-XQXXSGGOSA-N |
| InChI | InChI=1S/C12H22N4O6/c1-5(15-11(20)9(14)6(2)17)10(19)16-7(12(21)22)3-4-8(13)18/h5-7,9,17H,3-4,14H2,1-2H3,(H2,13,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6+,7-,9-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O6/c1-5(15-11(20)9(14)6(2)17)10(19)16-7(12(21)22)3-4-8(13)18/h5-7,9,17H,3-4,14H2,1-2H3,(H2,13,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6+,7-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:5]([C:10](=[N:16][C@@H:7]([CH2:3][CH2:4][C:8](=[NH:13])[OH:18])[C:12](=[O:21])[OH:22])[OH:19])[N:15]=[C:11]([C@H:9]([C@@H:6]([CH3:2])[OH:17])[NH2:14])[OH:20] |
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