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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O4/c1-5-6-9-12-23-14-15(16-10-7-8-11-18(16)23)13-17(19(24)25)22-20(26)27-21(2,3)4/h7-8,10-11,14,17H,5-6,9,12-13H2,1-4H3,(H,22,26)(H,24,25)