ethyl (2S)-2-[4-bromanylbutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[4-bromanylbutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[4-bromobutyl(tert-butoxycarbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[4-bromobutyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-bromobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-bromobutyl(tert-butoxycarbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C20H30BrNO4 MolecularWeight: 428.3605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30BrNO4/c1-5-25-18(23)17(15-16-11-7-6-8-12-16)22(14-10-9-13-21)19(24)26-20(2,3)4/h6-8,11-12,17H,5,9-10,13-15H2,1-4H3/t17-/m0/s1