tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]amino]acetic acid tert-butyl ester Formula: C33H40N2O5S MolecularWeight: 576.7461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H40N2O5S/c1-31(2,3)39-28(36)22-34-29(37)27(35-30(38)40-32(4,5)6)23-41-33(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27H,22-23H2,1-6H3,(H,34,37)(H,35,38)