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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[(3-methyl-2-sulfanyl-butanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-[(3-methyl-2-sulfanyl-butanoyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-3-methyl-1-oxobutyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(3-methyl-2-sulfanylbutanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercapto-3-methyl-butanoyl)amino]butyric acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-10(2)17(30)19(27)22-14(8-16(24)25)18(26)23-15(20(28)29)7-11-9-21-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,17,21,30H,7-8H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)