tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoate

Systemtic Name: tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[(1R)-2-benzyloxy-1-methyl-2-oxo-ethyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate Traditional Name: (2S)-2-[[(1R)-2-benzoxy-2-keto-1-methyl-ethyl]amino]-3-(1H-indol-3-yl)propionic acid tert-butyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(CC2=CNC3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=CC=C1)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N2O4/c1-17(23(28)30-16-18-10-6-5-7-11-18)27-22(24(29)31-25(2,3)4)14-19-15-26-21-13-9-8-12-20(19)21/h5-13,15,17,22,26-27H,14,16H2,1-4H3/t17-,22+/m1/s1