N-methylmethanamine; 2-phenylmethoxy-2-(6-sulfanylhexanoylamino)propanoic acid

Systemtic Name: N-methylmethanamine; 2-phenylmethoxy-2-(6-sulfanylhexanoylamino)propanoic acid Openeye Name: 2-benzyloxy-2-(6-sulfanylhexanoylamino)propanoic acid; N-methylmethanamine CAS Name: 2-[(6-mercapto-1-oxohexyl)amino]-2-phenylmethoxypropanoic acid; N-methylmethanamine IUPAC Name: N-methylmethanamine; 2-phenylmethoxy-2-(6-sulfanylhexanoylamino)propanoic acid Traditional Name: 2-benzoxy-2-(6-mercaptohexanoylamino)propionic acid; dimethylamine Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S.C2H7N/c1-16(15(19)20,17-14(18)10-6-3-7-11-22)21-12-13-8-4-2-5-9-13;1-3-2/h2,4-5,8-9,22H,3,6-7,10-12H2,1H3,(H,17,18)(H,19,20);3H,1-2H3