[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H27N3O4S/c1-14(2)15(3)25-21(27)13-30-23(29)19(26-22(28)20-9-6-10-31-20)11-16-12-24-18-8-5-4-7-17(16)18/h4-10,12,14-15,19,24H,11,13H2,1-3H3,(H,25,27)(H,26,28)