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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-(2-sulfanylpropanoylamino)butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-(2-sulfanylpropanoylamino)butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxopropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxo-3-(2-sulfanylpropanoylamino)butanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-(2-mercaptopropanoylamino)butyric acid Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)S

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)S

InChI

InChI=1S/C18H21N3O6S/c1-9(28)16(24)20-13(7-15(22)23)17(25)21-14(18(26)27)6-10-8-19-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,19,28H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23)(H,26,27)