3-bromanylpropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate

Systemtic Name: 3-bromanylpropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate Openeye Name: 3-bromopropyl (2S)-2-(tert-butoxycarbonylamino)-4-phenyl-butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid 3-bromopropyl ester IUPAC Name: 3-bromopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-phenyl-butyric acid 3-bromopropyl ester Formula: C18H26BrNO4 MolecularWeight: 400.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=O)OCCCBr

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCCCBr

InChI

InChI=1S/C18H26BrNO4/c1-18(2,3)24-17(22)20-15(16(21)23-13-7-12-19)11-10-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,22)/t15-/m0/s1