tert-butyl 2-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-amino-3-benzylsulfanyl-propanoyl)piperazine-1-carboxylate CAS Name: 2-[2-amino-1-oxo-3-(phenylmethylthio)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-amino-3-benzylsulfanylpropanoyl)piperazine-1-carboxylate Traditional Name: 2-[2-amino-3-(benzylthio)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNCC1C(=O)C(CSCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNCC1C(=O)C(CSCC2=CC=CC=C2)N

InChI

InChI=1S/C19H29N3O3S/c1-19(2,3)25-18(24)22-10-9-21-11-16(22)17(23)15(20)13-26-12-14-7-5-4-6-8-14/h4-8,15-16,21H,9-13,20H2,1-3H3