methyl (2R)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H24N4O3S MolecularWeight: 484.56946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H24N4O3S/c1-34-26(33)24(14-19-15-28-21-7-3-2-6-20(19)21)29-25(32)18-12-10-17(11-13-18)16-35-27-30-22-8-4-5-9-23(22)31-27/h2-13,15,24,28H,14,16H2,1H3,(H,29,32)(H,30,31)/t24-/m1/s1