2-(dimethylphosphorylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(dimethylphosphorylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(dimethylphosphorylamino)propanoic acid CAS Name: 2-(dimethylphosphorylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(dimethylphosphorylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(dimethylphosphorylamino)propionic acid Formula: C12H18NO3PS MolecularWeight: 287.314981

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)NC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CP(=O)(C)NC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H18NO3PS/c1-17(2,16)13-11(12(14)15)9-18-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,13,16)(H,14,15)