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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(3-oxidanyl-2-sulfanyl-butanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-[(3-hydroxy-2-sulfanyl-butanoyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(3-hydroxy-2-mercapto-1-oxobutyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(3-hydroxy-2-sulfanylbutanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-[(3-hydroxy-2-mercapto-butanoyl)amino]-4-keto-butyric acid Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7S/c1-9(23)16(30)18(27)21-13(7-15(24)25)17(26)22-14(19(28)29)6-10-8-20-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,16,20,23,30H,6-7H2,1H3,(H,21,27)(H,22,26)(H,24,25)(H,28,29)