2-[cyclopropyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[cyclopropyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)-cyclopropyl-amino]ethanesulfonic acid CAS Name: 2-[cyclopropyl-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]ethanesulfonic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)-cyclopropylamino]ethanesulfonic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)-cyclopropyl-amino]ethanesulfonic acid Formula: C15H21NO4S2 MolecularWeight: 343.46154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCS(=O)(=O)O)C(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

C1CC1N(CCS(=O)(=O)O)C(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C15H21NO4S2/c17-15(13(11-21)10-12-4-2-1-3-5-12)16(14-6-7-14)8-9-22(18,19)20/h1-5,13-14,21H,6-11H2,(H,18,19,20)