(4-ethyl-2-oxidanylidene-chromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H28N2O6/c1-5-16-13-24(30)34-23-14-18(10-11-20(16)23)33-25(31)22(29-26(32)35-27(2,3)4)12-17-15-28-21-9-7-6-8-19(17)21/h6-11,13-15,22,28H,5,12H2,1-4H3,(H,29,32)/t22-/m0/s1