propan-2-yl 2-[[5-azanyl-2-(phenylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[[5-azanyl-2-(phenylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(5-amino-2-benzyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-amino-2-(phenylmethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-amino-2-benzylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(5-amino-2-benzyl-benzoyl)amino]-4-(methylthio)butyric acid isopropyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)N)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-15(2)27-22(26)20(11-12-28-3)24-21(25)19-14-18(23)10-9-17(19)13-16-7-5-4-6-8-16/h4-10,14-15,20H,11-13,23H2,1-3H3,(H,24,25)