2-[[3-(2-benzamido-3-methyl-pentyl)sulfanyl-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[3-(2-benzamido-3-methyl-pentyl)sulfanyl-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-[(2-benzamido-3-methyl-pentyl)sulfanylmethyl]-2-ethoxy-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[3-[(2-benzamido-3-methylpentyl)thio]-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[[3-(2-benzamido-3-methylpentyl)sulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[[(2-benzamido-3-methyl-pentyl)thio]methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CSCC(C(=O)OCC)NC(C)C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C)C(CSCC(C(=O)OCC)NC(C)C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H32N2O5S/c1-5-14(3)17(23-19(24)16-10-8-7-9-11-16)12-29-13-18(21(27)28-6-2)22-15(4)20(25)26/h7-11,14-15,17-18,22H,5-6,12-13H2,1-4H3,(H,23,24)(H,25,26)