methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrophenyl)carbonyl-amino]-3-phenylsulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrophenyl)carbonyl-amino]-3-phenylsulfanyl-propanoate Openeye Name: methyl (2R)-2-[tert-butoxycarbonyl-(4-nitrobenzoyl)amino]-3-phenylsulfanyl-propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(4-nitrophenyl)-oxomethyl]amino]-3-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrobenzoyl)amino]-3-phenylsulfanylpropanoate Traditional Name: (2R)-2-[tert-butoxycarbonyl-(4-nitrobenzoyl)amino]-3-(phenylthio)propionic acid methyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CSC1=CC=CC=C1)C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CSC1=CC=CC=C1)C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7S/c1-22(2,3)31-21(27)23(19(25)15-10-12-16(13-11-15)24(28)29)18(20(26)30-4)14-32-17-8-6-5-7-9-17/h5-13,18H,14H2,1-4H3/t18-/m0/s1