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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)CN2CCCC2)C(C(C(=O)O)N)O

Isomeric SMILES

CC1=C(SC(=C1)CN2CCCC2)C(C(C(=O)O)N)O

InChI

InChI=1S/C13H20N2O3S/c1-8-6-9(7-15-4-2-3-5-15)19-12(8)11(16)10(14)13(17)18/h6,10-11,16H,2-5,7,14H2,1H3,(H,17,18)