tert-butyl 3-[3-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]propanoylamino]propanoate

Systemtic Name: tert-butyl 3-[3-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]propanoylamino]propanoate Openeye Name: tert-butyl 3-[3-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]propanoylamino]propanoate CAS Name: 3-[[3-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]propanoylamino]propanoate Traditional Name: 3-[3-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]propanoylamino]propionic acid tert-butyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-21(2,3)29-18(27)8-10-23-17(26)7-9-24-20(28)16-12-14-11-13(19(22)30-4)5-6-15(14)25-16/h5-6,11-12,22,25H,7-10H2,1-4H3,(H,23,26)(H,24,28)