(2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoic acid Openeye Name: (2S)-2-[[(1R)-2-benzyloxy-1-methyl-2-oxo-ethyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoic acid Traditional Name: (2S)-2-[[(1R)-2-benzoxy-2-keto-1-methyl-ethyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-14(21(26)27-13-15-7-3-2-4-8-15)23-19(20(24)25)11-16-12-22-18-10-6-5-9-17(16)18/h2-10,12,14,19,22-23H,11,13H2,1H3,(H,24,25)/t14-,19+/m1/s1