N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(2-methylsulfanylethanoyl)-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(2-methylsulfanylethanoyl)-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide Openeye Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(isopropylcarbamoylamino)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[2-(methylthio)-1-oxoethyl]-3-[[oxo-(propan-2-ylamino)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methylsulfanylacetyl)-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-(isopropylcarbamoylamino)-1-[2-(methylthio)acetyl]pyrrolidine-2-carboxamide Formula: C23H32N6O4S MolecularWeight: 488.60298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1CCN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)CSC

Isomeric SMILES

CC(C)NC(=O)NC1CCN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)CSC

InChI

InChI=1S/C23H32N6O4S/c1-13(2)26-23(33)28-17-8-9-29(19(30)12-34-3)20(17)22(32)27-18(21(24)31)10-14-11-25-16-7-5-4-6-15(14)16/h4-7,11,13,17-18,20,25H,8-10,12H2,1-3H3,(H2,24,31)(H,27,32)(H2,26,28,33)