3-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[(4-tert-butylphenyl)methyl]-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[1-(4-tert-butylbenzyl)indol-3-yl]propionic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N2O4/c1-26(2,3)20-13-11-18(12-14-20)16-29-17-19(21-9-7-8-10-23(21)29)15-22(24(30)31)28-25(32)33-27(4,5)6/h7-14,17,22H,15-16H2,1-6H3,(H,28,32)(H,30,31)