tert-butyl 3-(1H-indol-3-yl)-2-(3-oxidanylidenebutan-2-ylcarbamoylamino)propanoate

Systemtic Name: tert-butyl 3-(1H-indol-3-yl)-2-(3-oxidanylidenebutan-2-ylcarbamoylamino)propanoate Openeye Name: tert-butyl 3-(1H-indol-3-yl)-2-[(1-methyl-2-oxo-propyl)carbamoylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-(3-oxobutan-2-ylamino)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1H-indol-3-yl)-2-(3-oxobutan-2-ylcarbamoylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(2-keto-1-methyl-propyl)carbamoylamino]propionic acid tert-butyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)NC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)C)NC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-12(13(2)24)22-19(26)23-17(18(25)27-20(3,4)5)10-14-11-21-16-9-7-6-8-15(14)16/h6-9,11-12,17,21H,10H2,1-5H3,(H2,22,23,26)