methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenanthren-9-ylphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenanthren-9-ylphenyl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(9-phenanthryl)phenyl]propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(9-phenanthrenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenanthren-9-ylphenyl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(9-phenanthryl)phenyl]propionic acid methyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)OC

InChI

InChI=1S/C29H29NO4/c1-29(2,3)34-28(32)30-26(27(31)33-4)17-19-13-15-20(16-14-19)25-18-21-9-5-6-10-22(21)23-11-7-8-12-24(23)25/h5-16,18,26H,17H2,1-4H3,(H,30,32)/t26-/m0/s1