OUI
Summary
Name: | [(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid |
Formula: | C7 H16 N2 O2 |
Formal charge: | 0 |
Formula weight: | 160.214 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | [(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1 |
InChIKey | InChI | 1.03 | XHOVPUFCTDLSHX-NTSWFWBYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](N)CNC(O)=O |
SMILES | CACTVS | 3.385 | CC[CH](C)[CH](N)CNC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](C)[C@@H](CNC(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)C(CNC(=O)O)N |