methyl (2S)-2-acetamido-3-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[4-(3-oxobutanoylamino)phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-(1,3-dioxobutylamino)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[4-(3-oxobutanoylamino)phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-(acetoacetylamino)phenyl]propionic acid methyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C16H20N2O5/c1-10(19)8-15(21)18-13-6-4-12(5-7-13)9-14(16(22)23-3)17-11(2)20/h4-7,14H,8-9H2,1-3H3,(H,17,20)(H,18,21)/t14-/m0/s1