2-methylpropyl 3-(phenethylcarbamoylamino)-2-(phenylmethylsulfanyl)propanoate

Systemtic Name: 2-methylpropyl 3-(phenethylcarbamoylamino)-2-(phenylmethylsulfanyl)propanoate Openeye Name: isobutyl 2-benzylsulfanyl-3-(phenethylcarbamoylamino)propanoate CAS Name: 3-[[oxo-(phenethylamino)methyl]amino]-2-(phenylmethylthio)propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-benzylsulfanyl-3-(phenethylcarbamoylamino)propanoate Traditional Name: 2-(benzylthio)-3-(phenethylcarbamoylamino)propionic acid isobutyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CNC(=O)NCCC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)C(CNC(=O)NCCC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O3S/c1-18(2)16-28-22(26)21(29-17-20-11-7-4-8-12-20)15-25-23(27)24-14-13-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3,(H2,24,25,27)