tert-butyl (3S)-7-oxidanyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]heptanoate

Systemtic Name: tert-butyl (3S)-7-oxidanyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]heptanoate Openeye Name: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-7-hydroxy-heptanoate CAS Name: (3S)-7-hydroxy-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-7-hydroxyheptanoate Traditional Name: (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-7-hydroxy-enanthic acid tert-butyl ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3/c1-21(23-15-9-6-10-16-23)27(20-22-13-7-5-8-14-22)24(17-11-12-18-28)19-25(29)30-26(2,3)4/h5-10,13-16,21,24,28H,11-12,17-20H2,1-4H3/t21-,24-/m0/s1