(2S)-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenyl-butanoic acid

Systemtic Name: (2S)-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenyl-butanoic acid Openeye Name: (2S)-4-(N-tert-butoxycarbonyl-4-methoxy-anilino)-2-phenyl-butanoic acid CAS Name: (2S)-4-(4-methoxy-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)-2-phenylbutanoic acid IUPAC Name: (2S)-4-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylbutanoic acid Traditional Name: (2S)-4-(N-tert-butoxycarbonyl-4-methoxy-anilino)-2-phenyl-butyric acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC(C1=CC=CC=C1)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23(17-10-12-18(27-4)13-11-17)15-14-19(20(24)25)16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3,(H,24,25)/t19-/m0/s1