(2S)-2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazino]acetyl]amino]-3-methyl-butyric acid Formula: C13H25N3O4 MolecularWeight: 287.3553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1CCN(CC1)CCO

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CN1CCN(CC1)CCO

InChI

InChI=1S/C13H25N3O4/c1-10(2)12(13(19)20)14-11(18)9-16-5-3-15(4-6-16)7-8-17/h10,12,17H,3-9H2,1-2H3,(H,14,18)(H,19,20)/t12-/m0/s1