QNY
Summary
| Name: | O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine |
| Formula: | C8 H16 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 252.222 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-[(2~{R},3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-4,4-bis(oxidanyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | IXNIAZLULGXEOE-WISUUJSJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](OC(O)(O)C[C@H](N)C(O)=O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](OC(O)(O)C[CH](N)C(O)=O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)O)N)OC(CC(C(=O)O)N)(O)O |
