2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-methyl-3-tritylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]butyl]amino]acetic acid IUPAC Name: 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-methyl-3-(tritylthio)butanoyl]amino]acetic acid Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)NCC(=O)O)C(C)(C)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)NCC(=O)O)C(C)(C)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H36N2O5S/c1-29(2,3)38-28(37)33-26(27(36)32-21-25(34)35)30(4,5)39-31(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,26H,21H2,1-5H3,(H,32,36)(H,33,37)(H,34,35)