sodium 2-[cyclopropyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[cyclopropyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[(2-benzyl-3-sulfanyl-propanoyl)-cyclopropyl-amino]ethanesulfonate CAS Name: sodium 2-[cyclopropyl-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]ethanesulfonate IUPAC Name: sodium 2-[(2-benzyl-3-sulfanylpropanoyl)-cyclopropylamino]ethanesulfonate Traditional Name: sodium 2-[(2-benzyl-3-mercapto-propanoyl)-cyclopropyl-amino]ethanesulfonate Formula: C15H20NNaO4S2 MolecularWeight: 365.44337

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCS(=O)(=O)[O-])C(=O)C(CC2=CC=CC=C2)CS.[Na+]

Isomeric SMILES

C1CC1N(CCS(=O)(=O)[O-])C(=O)C(CC2=CC=CC=C2)CS.[Na+]

InChI

InChI=1S/C15H21NO4S2.Na/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);/q;+1/p-1