3-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(1-carboxy-3-methylsulfanyl-propyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[1-carboxy-3-(methylthio)propyl]amino]-4-keto-butyric acid Formula: C20H26N4O6S MolecularWeight: 450.50864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C20H26N4O6S/c1-31-7-6-15(20(29)30)23-19(28)16(9-17(25)26)24-18(27)13(21)8-11-10-22-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,22H,6-9,21H2,1H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)