tert-butyl (3S)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]-3-pyridin-3-yl-propanoate

Systemtic Name: tert-butyl (3S)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]-3-pyridin-3-yl-propanoate Openeye Name: tert-butyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]-3-(3-pyridinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(3-pyridyl)propionic acid tert-butyl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CC(=O)OC(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H](CC(=O)OC(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C27H32N2O2/c1-21(23-14-9-6-10-15-23)29(20-22-12-7-5-8-13-22)25(24-16-11-17-28-19-24)18-26(30)31-27(2,3)4/h5-17,19,21,25H,18,20H2,1-4H3/t21-,25+/m1/s1