2-acetamido-2-[[4-acetamido-3-(methylamino)phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-acetamido-2-[[4-acetamido-3-(methylamino)phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-acetamido-2-[[4-acetamido-3-(methylamino)phenyl]methyl]-3-methoxy-3-oxo-propanoic acid CAS Name: 2-acetamido-2-[[4-acetamido-3-(methylamino)phenyl]methyl]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-acetamido-2-[[4-acetamido-3-(methylamino)phenyl]methyl]-3-methoxy-3-oxopropanoic acid Traditional Name: 2-acetamido-2-[4-acetamido-3-(methylamino)benzyl]-3-keto-3-methoxy-propionic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-9(20)18-12-6-5-11(7-13(12)17-3)8-16(14(22)23,15(24)25-4)19-10(2)21/h5-7,17H,8H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)