ethyl 4-methylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate

Systemtic Name: ethyl 4-methylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C37H40N2O5S2 MolecularWeight: 656.8539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H40N2O5S2/c1-3-43-35(41)32(24-25-45-2)38-34(40)33(39-36(42)44-26-28-16-8-4-9-17-28)27-46-37(29-18-10-5-11-19-29,30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23,32-33H,3,24-27H2,1-2H3,(H,38,40)(H,39,42)