methyl (2S)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate CAS Name: (2S)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propionic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)OC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC(=CCC1=C2C(=CC=C1)NC=C2C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H30N2O4/c1-14(2)10-11-15-8-7-9-17-19(15)16(13-23-17)12-18(20(25)27-6)24-21(26)28-22(3,4)5/h7-10,13,18,23H,11-12H2,1-6H3,(H,24,26)/t18-/m0/s1