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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-(2-sulfanylethanoylamino)butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxoethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercaptoacetyl)amino]butyric acid Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CS

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CS

InChI

InChI=1S/C17H19N3O6S/c21-14(8-27)19-12(6-15(22)23)16(24)20-13(17(25)26)5-9-7-18-11-4-2-1-3-10(9)11/h1-4,7,12-13,18,27H,5-6,8H2,(H,19,21)(H,20,24)(H,22,23)(H,25,26)