methyl (2S)-2-azanyl-6-[phenylmethoxy-[(E)-3-phenylprop-2-enoyl]amino]hexanoate

Systemtic Name: methyl (2S)-2-azanyl-6-[phenylmethoxy-[(E)-3-phenylprop-2-enoyl]amino]hexanoate Openeye Name: methyl (2S)-2-amino-6-[benzyloxy-[(E)-3-phenylprop-2-enoyl]amino]hexanoate CAS Name: (2S)-2-amino-6-[[(E)-1-oxo-3-phenylprop-2-enyl]-phenylmethoxyamino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-6-[phenylmethoxy-[(E)-3-phenylprop-2-enoyl]amino]hexanoate Traditional Name: (2S)-2-amino-6-[benzoxy-[(E)-3-phenylacryloyl]amino]hexanoic acid methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN(C(=O)C=CC1=CC=CC=C1)OCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CCCCN(C(=O)/C=C/C1=CC=CC=C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C23H28N2O4/c1-28-23(27)21(24)14-8-9-17-25(29-18-20-12-6-3-7-13-20)22(26)16-15-19-10-4-2-5-11-19/h2-7,10-13,15-16,21H,8-9,14,17-18,24H2,1H3/b16-15+/t21-/m0/s1