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

Systemtic Name: tert-butyl [(3S,5S)-5-[[3-methylbutanoyl(naphthalen-2-ylmethyl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate Openeye Name: tert-butyl [(3S,5S)-5-[[3-methylbutanoyl(2-naphthylmethyl)amino]methyl]pyrrolidin-3-yl]sulfanylformate CAS Name: [[(3S,5S)-5-[[(3-methyl-1-oxobutyl)-(2-naphthalenylmethyl)amino]methyl]-3-pyrrolidinyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [(3S,5S)-5-[[3-methylbutanoyl(naphthalen-2-ylmethyl)amino]methyl]pyrrolidin-3-yl]sulfanylformate Traditional Name: [[(3S,5S)-5-[[isovaleryl(2-naphthylmethyl)amino]methyl]pyrrolidin-3-yl]thio]formic acid tert-butyl ester Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1CC(CN1)SC(=O)OC(C)(C)C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC(=O)N(C[C@@H]1C[C@@H](CN1)SC(=O)OC(C)(C)C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H36N2O3S/c1-18(2)12-24(29)28(16-19-10-11-20-8-6-7-9-21(20)13-19)17-22-14-23(15-27-22)32-25(30)31-26(3,4)5/h6-11,13,18,22-23,27H,12,14-17H2,1-5H3/t22-,23-/m0/s1