Obsolete: BWB
Summary
Name: | (2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid |
Formula: | C8 H15 N O7 |
Formal charge: | 0 |
Formula weight: | 237.207 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H15NO7/c9-3(7(13)14)1-15-8-6(12)5(11)4(10)2-16-8/h3-6,8,10-12H,1-2,9H2,(H,13,14)/t3-,4?,5?,6?,8?/m0/s1 |
InChIKey | InChI | 1.03 | JZKWDGBUDUNWAP-SQYPTRDESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](COC1OCC(O)C(O)C1O)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](COC1OCC(O)C(O)C1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(O1)OCC(C(=O)O)N)O)O)O |