methyl 3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]propanoate Openeye Name: methyl 2-[3-(tert-butoxycarbonylamino)-2-oxo-azepan-1-yl]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azepanyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]propanoate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-azepan-1-yl]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C23H31N3O5/c1-23(2,3)31-22(29)25-18-11-7-8-12-26(20(18)27)19(21(28)30-4)13-15-14-24-17-10-6-5-9-16(15)17/h5-6,9-10,14,18-19,24H,7-8,11-13H2,1-4H3,(H,25,29)