(2S,3R,4S)-4-methyl-3-[[(1R)-1-phenylethyl]amino]-2-phenylmethoxy-hexanoic acid

Systemtic Name: (2S,3R,4S)-4-methyl-3-[[(1R)-1-phenylethyl]amino]-2-phenylmethoxy-hexanoic acid Openeye Name: (2S,3R,4S)-2-benzyloxy-4-methyl-3-[[(1R)-1-phenylethyl]amino]hexanoic acid CAS Name: (2S,3R,4S)-4-methyl-3-[[(1R)-1-phenylethyl]amino]-2-phenylmethoxyhexanoic acid IUPAC Name: (2S,3R,4S)-4-methyl-3-[[(1R)-1-phenylethyl]amino]-2-phenylmethoxyhexanoic acid Traditional Name: (2S,3R,4S)-2-benzoxy-4-methyl-3-[[(1R)-1-phenylethyl]amino]hexanoic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C(=O)O)OCC1=CC=CC=C1)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H]([C@@H](C(=O)O)OCC1=CC=CC=C1)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO3/c1-4-16(2)20(23-17(3)19-13-9-6-10-14-19)21(22(24)25)26-15-18-11-7-5-8-12-18/h5-14,16-17,20-21,23H,4,15H2,1-3H3,(H,24,25)/t16-,17+,20+,21-/m0/s1