ethyl (2S)-2-[3-bromanylpropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[3-bromanylpropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[3-bromopropyl(tert-butoxycarbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[3-bromopropyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-bromopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-bromopropyl(tert-butoxycarbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C19H28BrNO4 MolecularWeight: 414.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N(CCCBr)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N(CCCBr)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H28BrNO4/c1-5-24-17(22)16(14-15-10-7-6-8-11-15)21(13-9-12-20)18(23)25-19(2,3)4/h6-8,10-11,16H,5,9,12-14H2,1-4H3/t16-/m0/s1