| Properties | Image |
|---|
| MNX_ID | MNXM1125866 |
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| reference | chebi:163279 |
| formula | C14H23N3O7 |
| global charge | 0 |
| mol weight | 345.352 |
| InChIKey | UMZHHILWZBFPGL-LOKLDPHHSA-N |
| InChI | InChI=1S/C14H23N3O7/c1-7(18)11(16-12(21)8(15)4-5-10(19)20)13(22)17-6-2-3-9(17)14(23)24/h7-9,11,18H,2-6,15H2,1H3,(H,16,21)(H,19,20)(H,23,24)/t7-,8+,9-,11+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H23N3O7/c1-7(18)11(16-12(21)8(15)4-5-10(19)20)13(22)17-6-2-3-9(17)14(23)24/h7-9,11,18H,2-6,15H2,1H3,(H,16,21)(H,19,20)(H,23,24)/t7-,8+,9-,11+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:7]([C@@H:11]([C:13]([N:17]1[CH2:6][CH2:2][CH2:3][C@@H:9]1[C:14](=[O:23])[OH:24])=[O:22])[N:16]=[C:12]([C@H:8]([CH2:4][CH2:5][C:10](=[O:19])[OH:20])[NH2:15])[OH:21])[OH:18] |
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