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

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoate Openeye Name: (3S)-4-(4-benzyloxyphenyl)-3-(tert-butoxycarbonylamino)butanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-phenylmethoxyphenyl)butanoate IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoate Traditional Name: (3S)-4-(4-benzoxyphenyl)-3-(tert-butoxycarbonylamino)butyrate Formula: C22H26NO5- MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23-18(14-20(24)25)13-16-9-11-19(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3,(H,23,26)(H,24,25)/p-1/t18-/m0/s1