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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[(4-methyl-2-sulfanyl-pentanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-[(4-methyl-2-sulfanyl-pentanoyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-4-methyl-1-oxopentyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(4-methyl-2-sulfanylpentanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercapto-4-methyl-pentanoyl)amino]butyric acid Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-11(2)7-17(31)20(28)23-15(9-18(25)26)19(27)24-16(21(29)30)8-12-10-22-14-6-4-3-5-13(12)14/h3-6,10-11,15-17,22,31H,7-9H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)