N-methylmethanamine; 2-phenylmethoxy-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: N-methylmethanamine; 2-phenylmethoxy-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 2-benzyloxy-2-(3-sulfanylpropanoylamino)propanoic acid; N-methylmethanamine CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-2-phenylmethoxypropanoic acid; N-methylmethanamine IUPAC Name: N-methylmethanamine; 2-phenylmethoxy-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-benzoxy-2-(3-mercaptopropanoylamino)propionic acid; dimethylamine Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)CCS)OCC1=CC=CC=C1.CNC

Isomeric SMILES

CC(C(=O)O)(NC(=O)CCS)OCC1=CC=CC=C1.CNC

InChI

InChI=1S/C13H17NO4S.C2H7N/c1-13(12(16)17,14-11(15)7-8-19)18-9-10-5-3-2-4-6-10;1-3-2/h2-6,19H,7-9H2,1H3,(H,14,15)(H,16,17);3H,1-2H3