methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-3-pyrrolo[2,3-b]pyridin-1-yl-propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-3-pyrrolo[2,3-b]pyridin-1-yl-propanoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]-3-pyrrolo[2,3-b]pyridin-1-yl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]-3-(1-pyrrolo[2,3-b]pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-3-pyrrolo[2,3-b]pyridin-1-ylpropanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl(carbobenzoxy)amino]-3-pyrrolo[2,3-b]pyridin-1-yl-propionic acid methyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CN1C=CC2=C1N=CC=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CN1C=CC2=C1N=CC=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O6/c1-24(2,3)33-23(30)27(22(29)32-16-17-9-6-5-7-10-17)19(21(28)31-4)15-26-14-12-18-11-8-13-25-20(18)26/h5-14,19H,15-16H2,1-4H3/t19-/m0/s1