methyl 2-[2-(2-benzamidoethanoyloxy)butanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[2-(2-benzamidoethanoyloxy)butanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[2-(2-benzamidoacetyl)oxybutanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-(2-benzamido-1-oxoethoxy)-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzamidoacetyl)oxybutanoylamino]-3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)-2-(2-hippuroyloxybutanoylamino)propionic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)OC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)OC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H28N2O6S/c1-3-20(32-21(27)14-25-22(28)18-12-8-5-9-13-18)23(29)26-19(24(30)31-2)16-33-15-17-10-6-4-7-11-17/h4-13,19-20H,3,14-16H2,1-2H3,(H,25,28)(H,26,29)