tert-butyl (3S)-6-oxidanyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]hexanoate

Systemtic Name: tert-butyl (3S)-6-oxidanyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]hexanoate Openeye Name: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-hydroxy-hexanoate CAS Name: (3S)-6-hydroxy-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-hydroxyhexanoate Traditional Name: (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-hydroxy-hexanoic acid tert-butyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CCCO)CC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3/c1-20(22-14-9-6-10-15-22)26(19-21-12-7-5-8-13-21)23(16-11-17-27)18-24(28)29-25(2,3)4/h5-10,12-15,20,23,27H,11,16-19H2,1-4H3/t20-,23-/m0/s1