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

Systemtic Name: methyl (2S)-2-azanyl-6-[oxidanyl-[(E)-3-phenylprop-2-enoyl]amino]hexanoate Openeye Name: methyl (2S)-2-amino-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]hexanoate CAS Name: (2S)-2-amino-6-[hydroxy-[(E)-1-oxo-3-phenylprop-2-enyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]hexanoate Traditional Name: (2S)-2-amino-6-[hydroxy-[(E)-3-phenylacryloyl]amino]hexanoic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-22-16(20)14(17)9-5-6-12-18(21)15(19)11-10-13-7-3-2-4-8-13/h2-4,7-8,10-11,14,21H,5-6,9,12,17H2,1H3/b11-10+/t14-/m0/s1