5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-azanyl-3-sulfanyl-propanoate

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-azanyl-3-sulfanyl-propanoate Openeye Name: 5-(3,5-dioxopiperazin-1-yl)pentyl 2-amino-3-sulfanyl-propanoate CAS Name: 2-amino-3-mercaptopropanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: 5-(3,5-dioxopiperazin-1-yl)pentyl 2-amino-3-sulfanylpropanoate Traditional Name: 2-amino-3-mercapto-propionic acid 5-(3,5-diketopiperazino)pentyl ester Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)CN1CCCCCOC(=O)C(CS)N

Isomeric SMILES

C1C(=O)NC(=O)CN1CCCCCOC(=O)C(CS)N

InChI

InChI=1S/C12H21N3O4S/c13-9(8-20)12(18)19-5-3-1-2-4-15-6-10(16)14-11(17)7-15/h9,20H,1-8,13H2,(H,14,16,17)