methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidinosulfonylbenzoyl)amino]propionic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H25N3O5S/c1-31-23(28)21(14-17-15-24-20-7-3-2-6-19(17)20)25-22(27)16-8-10-18(11-9-16)32(29,30)26-12-4-5-13-26/h2-3,6-11,15,21,24H,4-5,12-14H2,1H3,(H,25,27)/t21-/m1/s1