(2S)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-pyrrolidinosulfonylbenzoyl)amino]propionic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H23N3O5S/c26-21(15-7-9-17(10-8-15)31(29,30)25-11-3-4-12-25)24-20(22(27)28)13-16-14-23-19-6-2-1-5-18(16)19/h1-2,5-10,14,20,23H,3-4,11-13H2,(H,24,26)(H,27,28)/t20-/m0/s1