URV
[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
Created: | 2019-10-12 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 1 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid |
Systematic Name (OpenEye OEToolkits) | [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid |
Formula | C6 H14 N2 O2 |
Molecular Weight | 146.188 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)[CH](N)CNC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(CNC(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | CC(C)[C@H](N)CNC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](CNC(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1 |
InChIKey | InChI | 1.03 | UNYZFPNKGAAKMS-RXMQYKEDSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 87516334 |