tert-butyl (2R,3R)-2-ethyl-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]hexanoate

Systemtic Name: tert-butyl (2R,3R)-2-ethyl-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]hexanoate Openeye Name: tert-butyl (2R,3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-ethyl-hexanoate CAS Name: (2R,3R)-2-ethyl-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-ethylhexanoate Traditional Name: (2R,3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-ethyl-hexanoic acid tert-butyl ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)OC(C)(C)C)N(CC1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-7-15-25(24(8-2)26(29)30-27(4,5)6)28(20-22-16-11-9-12-17-22)21(3)23-18-13-10-14-19-23/h9-14,16-19,21,24-25H,7-8,15,20H2,1-6H3/t21-,24-,25-/m1/s1