(2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]propanoate

Systemtic Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]propanoate Openeye Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]propanoate CAS Name: (2S)-2-[[4-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxobutyl]amino]propanoate IUPAC Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]propanoate Traditional Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]propionate Formula: C13H25N3O4 MolecularWeight: 287.3553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCC[NH+]1CCN(CC1)CCO

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CCC[NH+]1CCN(CC1)CCO

InChI

InChI=1S/C13H25N3O4/c1-11(13(19)20)14-12(18)3-2-4-15-5-7-16(8-6-15)9-10-17/h11,17H,2-10H2,1H3,(H,14,18)(H,19,20)/t11-/m0/s1