methyl 2-[[5-[(2-azanyl-3-sulfanyl-propoxy)methyl]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-[(2-azanyl-3-sulfanyl-propoxy)methyl]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-[(2-amino-3-sulfanyl-propoxy)methyl]-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-[(2-amino-3-mercaptopropoxy)methyl]-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-amino-3-sulfanylpropoxy)methyl]-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-[(2-amino-3-mercapto-propoxy)methyl]-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H32N2O4S2 MolecularWeight: 428.60908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)COCC(CS)N)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)COCC(CS)N)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C20H32N2O4S2/c1-13(2)16-6-5-14(10-26-11-15(21)12-27)9-17(16)19(23)22-18(7-8-28-4)20(24)25-3/h5-6,9,13,15,18,27H,7-8,10-12,21H2,1-4H3,(H,22,23)