2-[[3,5-bis[(1-ethoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]phenyl]methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[3,5-bis[(1-ethoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]phenyl]methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[3,5-bis[(2-ethoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]phenyl]methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[[3,5-bis[[(1-ethoxy-1-oxopropan-2-yl)thio]methyl]phenyl]methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[[3,5-bis[(1-ethoxy-1-oxopropan-2-yl)sulfanylmethyl]phenyl]methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[[3,5-bis[[(2-ethoxy-2-keto-1-methyl-ethyl)thio]methyl]benzyl]amino]-3-mercapto-propionic acid Formula: C22H33NO6S3 MolecularWeight: 503.69552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SCC1=CC(=CC(=C1)CNC(CS)C(=O)O)CSC(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)SCC1=CC(=CC(=C1)CNC(CS)C(=O)O)CSC(C)C(=O)OCC

InChI

InChI=1S/C22H33NO6S3/c1-5-28-21(26)14(3)31-12-17-7-16(10-23-19(11-30)20(24)25)8-18(9-17)13-32-15(4)22(27)29-6-2/h7-9,14-15,19,23,30H,5-6,10-13H2,1-4H3,(H,24,25)