3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

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