3-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-oxo-2-(2-thienylmethylamino)ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-keto-2-(2-thenylamino)ethyl]piperazino]propionic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC(=O)NCC2=CC=CS2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC(=O)NCC2=CC=CS2

InChI

InChI=1S/C14H21N3O3S/c18-13(15-10-12-2-1-9-21-12)11-17-7-5-16(6-8-17)4-3-14(19)20/h1-2,9H,3-8,10-11H2,(H,15,18)(H,19,20)