tert-butyl (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propionic acid tert-butyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)20(13-16-9-5-4-6-10-16)25-21(26)19-14-17-11-7-8-12-18(17)15-24-19/h4-12,19-20,24H,13-15H2,1-3H3,(H,25,26)/t19-,20-/m0/s1