(2R)-3-ethylsulfonyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-ethylsulfonyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2R)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-ethylsulfonyl-propanoic acid CAS Name: (2R)-3-ethylsulfonyl-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2R)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-ethylsulfonylpropanoic acid Traditional Name: (2R)-2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-esyl-propionic acid Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

CCS(=O)(=O)C[C@@H](C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

InChI

InChI=1S/C15H21NO5S2/c1-2-23(20,21)10-13(15(18)19)16-14(17)12(9-22)8-11-6-4-3-5-7-11/h3-7,12-13,22H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m0/s1