methyl (2S)-3-[1-(2-methylbut-3-en-2-yl)indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[1-(2-methylbut-3-en-2-yl)indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[1-(1,1-dimethylallyl)indol-3-yl]propanoate CAS Name: (2S)-3-[1-(2-methylbut-3-en-2-yl)-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(2-methylbut-3-en-2-yl)indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[1-(1,1-dimethylallyl)indol-3-yl]propionic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C(C)(C)C=C)C(=O)OC

InChI

InChI=1S/C22H30N2O4/c1-8-22(5,6)24-14-15(16-11-9-10-12-18(16)24)13-17(19(25)27-7)23-20(26)28-21(2,3)4/h8-12,14,17H,1,13H2,2-7H3,(H,23,26)/t17-/m0/s1