tert-butyl 2-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]butanoylamino]ethanoate

Systemtic Name: tert-butyl 2-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]butanoylamino]ethanoate Openeye Name: tert-butyl 2-[4-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]butanoylamino]acetate CAS Name: 2-[[4-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]-1-oxobutyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]butanoylamino]acetate Traditional Name: 2-[4-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]butanoylamino]acetic acid tert-butyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC

InChI

InChI=1S/C21H28N4O4S/c1-21(2,3)29-18(27)12-24-17(26)6-5-9-23-20(28)16-11-14-10-13(19(22)30-4)7-8-15(14)25-16/h7-8,10-11,22,25H,5-6,9,12H2,1-4H3,(H,23,28)(H,24,26)