methyl 3-(1H-indol-3-yl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoate Openeye Name: methyl 2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoate Traditional Name: 2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-13-9-5-6-12-20(27)26-19(21(28)30-4)14-16-15-25-18-11-8-7-10-17(16)18/h7-8,10-11,15,19,25H,5-6,9,12-14H2,1-4H3,(H,24,29)(H,26,27)