methyl (2S)-2-[[(E)-4-methyl-5-phenyl-pent-4-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-4-methyl-5-phenyl-pent-4-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(E)-4-methyl-5-phenyl-pent-4-enoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(E)-4-methyl-1-oxo-5-phenylpent-4-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(E)-4-methyl-5-phenylpent-4-enoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(E)-4-methyl-5-phenyl-pent-4-enoyl]amino]propionic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CCC(=O)N[C@@H](CO)C(=O)OC

InChI

InChI=1S/C16H21NO4/c1-12(10-13-6-4-3-5-7-13)8-9-15(19)17-14(11-18)16(20)21-2/h3-7,10,14,18H,8-9,11H2,1-2H3,(H,17,19)/b12-10+/t14-/m0/s1