tert-butyl (2S)-2-[[(2S)-3-naphthalen-1-yl-2-pyrimidin-2-ylsulfinyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-3-naphthalen-1-yl-2-pyrimidin-2-ylsulfinyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-3-(1-naphthyl)-2-pyrimidin-2-ylsulfinyl-propanoyl]amino]hexanoate CAS Name: (2S)-2-[[(2S)-3-(1-naphthalenyl)-1-oxo-2-(2-pyrimidinylsulfinyl)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-3-naphthalen-1-yl-2-pyrimidin-2-ylsulfinylpropanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-3-(1-naphthyl)-2-(2-pyrimidylsulfinyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)S(=O)C3=NC=CC=N3

Isomeric SMILES

CCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)S(=O)C3=NC=CC=N3

InChI

InChI=1S/C27H33N3O4S/c1-5-6-15-22(25(32)34-27(2,3)4)30-24(31)23(35(33)26-28-16-10-17-29-26)18-20-13-9-12-19-11-7-8-14-21(19)20/h7-14,16-17,22-23H,5-6,15,18H2,1-4H3,(H,30,31)/t22-,23-,35?/m0/s1