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

Systemtic Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-phenylsulfanyl-propanoate Openeye Name: methyl (2R)-2-[tert-butoxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-phenylsulfanyl-propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(4-nitrophenyl)methoxy-oxomethyl]amino]-3-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-phenylsulfanylpropanoate Traditional Name: (2R)-2-[tert-butoxycarbonyl-(4-nitrobenzyl)oxycarbonyl-amino]-3-(phenylthio)propionic acid methyl ester Formula: C23H26N2O8S MolecularWeight: 490.52614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CSC1=CC=CC=C1)C(=O)OC)C(=O)OCC2=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)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O8S/c1-23(2,3)33-22(28)24(19(20(26)31-4)15-34-18-8-6-5-7-9-18)21(27)32-14-16-10-12-17(13-11-16)25(29)30/h5-13,19H,14-15H2,1-4H3/t19-/m0/s1