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

Systemtic Name: 3-[1-(3-methylbutyl)indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-isopentylindol-3-yl)propanoic acid CAS Name: 3-[1-(3-methylbutyl)-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-(3-methylbutyl)indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-isoamylindol-3-yl)propionic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O4/c1-14(2)10-11-23-13-15(16-8-6-7-9-18(16)23)12-17(19(24)25)22-20(26)27-21(3,4)5/h6-9,13-14,17H,10-12H2,1-5H3,(H,22,26)(H,24,25)