methyl 4-[(2R)-2-azanyl-3-sulfanyl-propyl]-1-(naphthalen-1-ylmethyl)piperazine-2-carboxylate

Systemtic Name: methyl 4-[(2R)-2-azanyl-3-sulfanyl-propyl]-1-(naphthalen-1-ylmethyl)piperazine-2-carboxylate Openeye Name: methyl 4-[(2R)-2-amino-3-sulfanyl-propyl]-1-(1-naphthylmethyl)piperazine-2-carboxylate CAS Name: 4-[(2R)-2-amino-3-mercaptopropyl]-1-(1-naphthalenylmethyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-amino-3-sulfanylpropyl]-1-(naphthalen-1-ylmethyl)piperazine-2-carboxylate Traditional Name: 4-[(2R)-2-amino-3-mercapto-propyl]-1-(1-naphthylmethyl)piperazine-2-carboxylic acid methyl ester Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC(CS)N

Isomeric SMILES

COC(=O)C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C[C@H](CS)N

InChI

InChI=1S/C20H27N3O2S/c1-25-20(24)19-13-22(12-17(21)14-26)9-10-23(19)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17,19,26H,9-14,21H2,1H3/t17-,19?/m1/s1