(phenylmethyl) 2-[[(2R)-2-(phenylmethyl)-3-propanoylsulfanyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2R)-2-(phenylmethyl)-3-propanoylsulfanyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[(2R)-2-benzyl-3-propanoylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[(2R)-1-oxo-2-[(1-oxopropylthio)methyl]-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2R)-2-benzyl-3-propanoylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-benzyl-3-(propionylthio)propanoyl]amino]acetic acid benzyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-2-21(25)28-16-19(13-17-9-5-3-6-10-17)22(26)23-14-20(24)27-15-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,23,26)/t19-/m0/s1