| Properties | Image |
|---|
| MNX_ID | MNXM1124697 |
 |
| reference | chebi:162102 |
| formula | C13H21N5O6 |
| global charge | 0 |
| mol weight | 343.34 |
| InChIKey | WWAQEUOYCYMGHB-FXQIFTODSA-N |
| InChI | InChI=1S/C13H21N5O6/c14-9(19)4-7(17-11(21)6-2-1-3-16-6)12(22)18-8(13(23)24)5-10(15)20/h6-8,16H,1-5H2,(H2,14,19)(H2,15,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7-,8-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H21N5O6/c14-9(19)4-7(17-11(21)6-2-1-3-16-6)12(22)18-8(13(23)24)5-10(15)20/h6-8,16H,1-5H2,(H2,14,19)(H2,15,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:6]([C:11](=[N:17][C@@H:7]([CH2:4][C:9](=[NH:14])[OH:19])[C:12](=[N:18][C@@H:8]([CH2:5][C:10](=[NH:15])[OH:20])[C:13](=[O:23])[OH:24])[OH:22])[OH:21])[NH:16][CH2:3]1 |
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