methyl 2-[[1-(2-azidoethyl)cyclohexyl]carbonylamino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: methyl 2-[[1-(2-azidoethyl)cyclohexyl]carbonylamino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: methyl 2-[[1-(2-azidoethyl)cyclohexanecarbonyl]amino]-3-tritylsulfanyl-propanoate CAS Name: 2-[[[1-(2-azidoethyl)cyclohexyl]-oxomethyl]amino]-3-[(triphenylmethyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-azidoethyl)cyclohexanecarbonyl]amino]-3-tritylsulfanylpropanoate Traditional Name: 2-[[1-(2-azidoethyl)cyclohexanecarbonyl]amino]-3-(tritylthio)propionic acid methyl ester Formula: C32H36N4O3S MolecularWeight: 556.71824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4(CCCCC4)CCN=[N+]=[N-]

Isomeric SMILES

COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4(CCCCC4)CCN=[N+]=[N-]

InChI

InChI=1S/C32H36N4O3S/c1-39-29(37)28(35-30(38)31(22-23-34-36-33)20-12-5-13-21-31)24-40-32(25-14-6-2-7-15-25,26-16-8-3-9-17-26)27-18-10-4-11-19-27/h2-4,6-11,14-19,28H,5,12-13,20-24H2,1H3,(H,35,38)