ethyl (2R)-3-(1,3-diphenylprop-2-ynylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: ethyl (2R)-3-(1,3-diphenylprop-2-ynylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-3-(1,3-diphenylprop-2-ynylsulfanyl)propanoate CAS Name: (2R)-3-(1,3-diphenylprop-2-ynylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(1,3-diphenylprop-2-ynylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-(1,3-diphenylprop-2-ynylthio)propionic acid ethyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(C#CC1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CSC(C#CC1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H29NO4S/c1-5-29-23(27)21(26-24(28)30-25(2,3)4)18-31-22(20-14-10-7-11-15-20)17-16-19-12-8-6-9-13-19/h6-15,21-22H,5,18H2,1-4H3,(H,26,28)/t21-,22?/m0/s1