(2S)-2-azanyl-6-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]hexanoic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCCCCC(C(=O)O)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCCCC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C16H22N2O5/c1-23-14-10-11(5-7-13(14)19)6-8-15(20)18-9-3-2-4-12(17)16(21)22/h5-8,10,12,19H,2-4,9,17H2,1H3,(H,18,20)(H,21,22)/b8-6+/t12-/m0/s1