(2R)-3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]propanoic acid CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]propanoic acid IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(3-piperidinosulfonylbenzoyl)amino]propionic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H25N3O5S/c27-22(16-7-6-8-18(13-16)32(30,31)26-11-4-1-5-12-26)25-21(23(28)29)14-17-15-24-20-10-3-2-9-19(17)20/h2-3,6-10,13,15,21,24H,1,4-5,11-12,14H2,(H,25,27)(H,28,29)/t21-/m1/s1