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

Systemtic Name: tert-butyl [(3S,5S)-5-[[naphthalen-1-ylmethyl(2-pyridin-3-ylethanoyl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate Openeye Name: tert-butyl [(3S,5S)-5-[[1-naphthylmethyl-[2-(3-pyridyl)acetyl]amino]methyl]pyrrolidin-3-yl]sulfanylformate CAS Name: [[(3S,5S)-5-[[1-naphthalenylmethyl-[1-oxo-2-(3-pyridinyl)ethyl]amino]methyl]-3-pyrrolidinyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [(3S,5S)-5-[[naphthalen-1-ylmethyl-(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-3-yl]sulfanylformate Traditional Name: [[(3S,5S)-5-[[1-naphthylmethyl-[2-(3-pyridyl)acetyl]amino]methyl]pyrrolidin-3-yl]thio]formic acid tert-butyl ester Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(NC1)CN(CC2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)S[C@H]1C[C@H](NC1)CN(CC2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-28(2,3)34-27(33)35-24-15-23(30-17-24)19-31(26(32)14-20-8-7-13-29-16-20)18-22-11-6-10-21-9-4-5-12-25(21)22/h4-13,16,23-24,30H,14-15,17-19H2,1-3H3/t23-,24-/m0/s1