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

Systemtic Name: 3-[(3-cyclohexyl-2-sulfanyl-propanoyl)amino]-4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3-cyclohexyl-2-sulfanyl-propanoyl)amino]-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[(3-cyclohexyl-2-mercapto-1-oxopropyl)amino]-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(3-cyclohexyl-2-sulfanylpropanoyl)amino]-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[(3-cyclohexyl-2-mercapto-propanoyl)amino]-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C24H31N3O6S MolecularWeight: 489.58444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S

InChI

InChI=1S/C24H31N3O6S/c28-21(29)12-18(26-23(31)20(34)10-14-6-2-1-3-7-14)22(30)27-19(24(32)33)11-15-13-25-17-9-5-4-8-16(15)17/h4-5,8-9,13-14,18-20,25,34H,1-3,6-7,10-12H2,(H,26,31)(H,27,30)(H,28,29)(H,32,33)