(phenylmethyl) N-[[2-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]carbamate

Systemtic Name: (phenylmethyl) N-[[2-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]carbamate Openeye Name: benzyl N-[[2-[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-methyl-amino]carbamate CAS Name: N-[[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]carbamate Traditional Name: N-[[2-[[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]-methyl-amino]carbamic acid benzyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O4/c1-27(26-22(30)31-14-15-7-3-2-4-8-15)13-20(28)25-19(21(23)29)11-16-12-24-18-10-6-5-9-17(16)18/h2-10,12,19,24H,11,13-14H2,1H3,(H2,23,29)(H,25,28)(H,26,30)