2-methylsulfonylethyl 2-[[2-[[(2-azanyl-4-methylsulfanyl-butyl)disulfanyl]methyl]-3-thiophen-3-yl-propanoyl]amino]propanoate

Systemtic Name: 2-methylsulfonylethyl 2-[[2-[[(2-azanyl-4-methylsulfanyl-butyl)disulfanyl]methyl]-3-thiophen-3-yl-propanoyl]amino]propanoate Openeye Name: 2-methylsulfonylethyl 2-[[2-[[(2-amino-4-methylsulfanyl-butyl)disulfanyl]methyl]-3-(3-thienyl)propanoyl]amino]propanoate CAS Name: 2-[[2-[[[2-amino-4-(methylthio)butyl]disulfanyl]methyl]-1-oxo-3-(3-thiophenyl)propyl]amino]propanoic acid 2-methylsulfonylethyl ester IUPAC Name: 2-methylsulfonylethyl 2-[[2-[[(2-amino-4-methylsulfanylbutyl)disulfanyl]methyl]-3-thiophen-3-ylpropanoyl]amino]propanoate Traditional Name: 2-[[2-[[[2-amino-4-(methylthio)butyl]disulfanyl]methyl]-3-(3-thienyl)propanoyl]amino]propionic acid 2-mesylethyl ester Formula: C19H32N2O5S5 MolecularWeight: 528.79278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCS(=O)(=O)C)NC(=O)C(CC1=CSC=C1)CSSCC(CCSC)N

Isomeric SMILES

CC(C(=O)OCCS(=O)(=O)C)NC(=O)C(CC1=CSC=C1)CSSCC(CCSC)N

InChI

InChI=1S/C19H32N2O5S5/c1-14(19(23)26-6-9-31(3,24)25)21-18(22)16(10-15-4-8-28-11-15)12-29-30-13-17(20)5-7-27-2/h4,8,11,14,16-17H,5-7,9-10,12-13,20H2,1-3H3,(H,21,22)