2-[[3-(4-chlorophenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[3-(4-chlorophenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[3-(4-chlorophenyl)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-1-oxopropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[3-(4-chlorophenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C41H46ClN3O6S2 MolecularWeight: 776.40344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)NC(C(=O)O)C(C)(C)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)NC(C(=O)O)C(C)(C)S

InChI

InChI=1S/C41H46ClN3O6S2/c1-39(2,3)51-38(50)44-33(26-53-41(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30)36(47)43-32(25-27-21-23-31(42)24-22-27)35(46)45-34(37(48)49)40(4,5)52/h6-24,32-34,52H,25-26H2,1-5H3,(H,43,47)(H,44,50)(H,45,46)(H,48,49)