tert-butyl 3-methyl-2-[2-[[2-[(2-nitrophenyl)sulfanylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoylamino]butanoate

Systemtic Name: tert-butyl 3-methyl-2-[2-[[2-[(2-nitrophenyl)sulfanylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoylamino]butanoate Openeye Name: tert-butyl 3-methyl-2-[[2-[[2-[(2-nitrophenyl)sulfanylamino]-3-tritylsulfanyl-propanoyl]amino]acetyl]amino]butanoate CAS Name: 3-methyl-2-[[2-[[2-[[(2-nitrophenyl)thio]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-1-oxoethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-2-[[2-[[2-[(2-nitrophenyl)sulfanylamino]-3-tritylsulfanylpropanoyl]amino]acetyl]amino]butanoate Traditional Name: 3-methyl-2-[[2-[[2-[[(2-nitrophenyl)thio]amino]-3-(tritylthio)propanoyl]amino]acetyl]amino]butyric acid tert-butyl ester Formula: C39H44N4O6S2 MolecularWeight: 728.91986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NSC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NSC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C39H44N4O6S2/c1-27(2)35(37(46)49-38(3,4)5)41-34(44)25-40-36(45)31(42-51-33-24-16-15-23-32(33)43(47)48)26-50-39(28-17-9-6-10-18-28,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-24,27,31,35,42H,25-26H2,1-5H3,(H,40,45)(H,41,44)