4-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H18N4O4/c18-7-8-19-17(25)14(21-15(22)5-6-16(23)24)9-11-10-20-13-4-2-1-3-12(11)13/h1-4,10,14,20H,5-6,8-9H2,(H,19,25)(H,21,22)(H,23,24)