(phenylmethyl) 2-[[2-azanyl-3-(4-tert-butylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-3-(4-tert-butylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[[2-amino-3-(4-tert-butylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-3-(4-tert-butylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-amino-3-(4-tert-butylphenyl)propanoyl]amino]-4-(methylthio)butyric acid benzyl ester Formula: C25H34N2O3S MolecularWeight: 442.61406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C25H34N2O3S/c1-25(2,3)20-12-10-18(11-13-20)16-21(26)23(28)27-22(14-15-31-4)24(29)30-17-19-8-6-5-7-9-19/h5-13,21-22H,14-17,26H2,1-4H3,(H,27,28)