(2S)-2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: (2S)-3-(4-benzyloxyphenyl)-2-[[(Z)-1-methyl-3-oxo-but-1-enyl]amino]propanoic acid CAS Name: (2S)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[[(Z)-3-keto-1-methyl-but-1-enyl]amino]propionic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C/C(=C/C(=O)C)/N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO4/c1-15(12-16(2)23)22-20(21(24)25)13-17-8-10-19(11-9-17)26-14-18-6-4-3-5-7-18/h3-12,20,22H,13-14H2,1-2H3,(H,24,25)/b15-12-/t20-/m0/s1