73P
Summary
Name: | (2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid |
Formula: | C7 H14 N2 O4 |
Formal charge: | 0 |
Formula weight: | 190.197 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | (2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H14N2O4/c8-4-2-1-3-5(6(10)11)9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | FRLGFEJDRMTGHL-YFKPBYRVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@H](NC(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | NCCCC[CH](NC(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C(CCN)C[C@@H](C(=O)O)NC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | C(CCN)CC(C(=O)O)NC(=O)O |