2-azanyl-3-oxidanyl-2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]butanoic acid

Systemtic Name: 2-azanyl-3-oxidanyl-2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]butanoic acid Openeye Name: 2-amino-3-hydroxy-2-[5-(pyrrolidin-1-ylmethyl)-2-thienyl]butanoic acid CAS Name: 2-amino-3-hydroxy-2-[5-(1-pyrrolidinylmethyl)-2-thiophenyl]butanoic acid IUPAC Name: 2-amino-3-hydroxy-2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]butanoic acid Traditional Name: 2-amino-3-hydroxy-2-[5-(pyrrolidinomethyl)-2-thienyl]butyric acid Formula: C13H20N2O3S MolecularWeight: 284.3745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(S1)CN2CCCC2)(C(=O)O)N)O

Isomeric SMILES

CC(C(C1=CC=C(S1)CN2CCCC2)(C(=O)O)N)O

InChI

InChI=1S/C13H20N2O3S/c1-9(16)13(14,12(17)18)11-5-4-10(19-11)8-15-6-2-3-7-15/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,17,18)