propan-2-yl 2-[3-(1H-benzimidazol-4-yl)propanoylamino]-3-[hexylsulfanylcarbonyl(methyl)amino]propanoate

Systemtic Name: propan-2-yl 2-[3-(1H-benzimidazol-4-yl)propanoylamino]-3-[hexylsulfanylcarbonyl(methyl)amino]propanoate Openeye Name: isopropyl 2-[3-(1H-benzimidazol-4-yl)propanoylamino]-3-[hexylsulfanylcarbonyl(methyl)amino]propanoate CAS Name: 2-[[3-(1H-benzimidazol-4-yl)-1-oxopropyl]amino]-3-[[(hexylthio)-oxomethyl]-methylamino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-(1H-benzimidazol-4-yl)propanoylamino]-3-[hexylsulfanylcarbonyl(methyl)amino]propanoate Traditional Name: 2-[3-(1H-benzimidazol-4-yl)propanoylamino]-3-[(hexylthio)carbonyl-methyl-amino]propionic acid isopropyl ester Formula: C24H36N4O4S MolecularWeight: 476.63204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)N(C)CC(C(=O)OC(C)C)NC(=O)CCC1=C2C(=CC=C1)NC=N2

Isomeric SMILES

CCCCCCSC(=O)N(C)CC(C(=O)OC(C)C)NC(=O)CCC1=C2C(=CC=C1)NC=N2

InChI

InChI=1S/C24H36N4O4S/c1-5-6-7-8-14-33-24(31)28(4)15-20(23(30)32-17(2)3)27-21(29)13-12-18-10-9-11-19-22(18)26-16-25-19/h9-11,16-17,20H,5-8,12-15H2,1-4H3,(H,25,26)(H,27,29)