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

Systemtic Name: 3-(1-hexylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-hexylindol-3-yl)propanoic acid CAS Name: 3-(1-hexyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1-hexylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-hexylindol-3-yl)propionic acid Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O4/c1-5-6-7-10-13-24-15-16(17-11-8-9-12-19(17)24)14-18(20(25)26)23-21(27)28-22(2,3)4/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3,(H,23,27)(H,25,26)