2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylsulfonyl)indol-3-yl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)indol-3-yl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(1-besylindol-3-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O6S/c1-22(2,3)30-21(27)23-18(20(25)26)13-15-14-24(19-12-8-7-11-17(15)19)31(28,29)16-9-5-4-6-10-16/h4-12,14,18H,13H2,1-3H3,(H,23,27)(H,25,26)