tert-butyl [5-[[2-naphthalen-1-ylethyl(2-pyridin-3-ylethanoyl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate

Systemtic Name: tert-butyl [5-[[2-naphthalen-1-ylethyl(2-pyridin-3-ylethanoyl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate Openeye Name: tert-butyl [5-[[2-(1-naphthyl)ethyl-[2-(3-pyridyl)acetyl]amino]methyl]pyrrolidin-3-yl]sulfanylformate CAS Name: [[5-[[2-(1-naphthalenyl)ethyl-[1-oxo-2-(3-pyridinyl)ethyl]amino]methyl]-3-pyrrolidinyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [5-[[2-naphthalen-1-ylethyl-(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-3-yl]sulfanylformate Traditional Name: [[5-[[2-(1-naphthyl)ethyl-[2-(3-pyridyl)acetyl]amino]methyl]pyrrolidin-3-yl]thio]formic acid tert-butyl ester Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(NC1)CN(CCC2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)SC1CC(NC1)CN(CCC2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)36-25-17-24(31-19-25)20-32(27(33)16-21-8-7-14-30-18-21)15-13-23-11-6-10-22-9-4-5-12-26(22)23/h4-12,14,18,24-25,31H,13,15-17,19-20H2,1-3H3