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

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfanyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-(1-naphthylmethyl)-3-pyrimidin-2-ylsulfanyl-propanoyl]amino]hexanoate CAS Name: (2S)-2-[[(2S)-2-(1-naphthalenylmethyl)-1-oxo-3-(2-pyrimidinylthio)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfanylpropanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-(1-naphthylmethyl)-3-(2-pyrimidylthio)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSC3=NC=CC=N3

Isomeric SMILES

CCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)CSC3=NC=CC=N3

InChI

InChI=1S/C28H35N3O3S/c1-5-6-15-24(26(33)34-28(2,3)4)31-25(32)22(19-35-27-29-16-10-17-30-27)18-21-13-9-12-20-11-7-8-14-23(20)21/h7-14,16-17,22,24H,5-6,15,18-19H2,1-4H3,(H,31,32)/t22-,24+/m1/s1