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

Systemtic Name: methyl (2S)-2-azanyl-6-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]hexanoate Openeye Name: methyl (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]hexanoate CAS Name: (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]hexanoate Traditional Name: (2S)-2-amino-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]hexanoic acid methyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-23-15-11-12(6-8-14(15)20)7-9-16(21)19-10-4-3-5-13(18)17(22)24-2/h6-9,11,13,20H,3-5,10,18H2,1-2H3,(H,19,21)/b9-7+/t13-/m0/s1