(phenylmethyl) 2-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]ethanoate Openeye Name: benzyl 2-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]acetate CAS Name: 2-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]acetate Traditional Name: 2-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]acetic acid benzyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-30-13-12-19(24-20(25)16-28-18-10-6-3-7-11-18)22(27)23-14-21(26)29-15-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,23,27)(H,24,25)