5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoic acid

Systemtic Name: 5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoic acid Openeye Name: 5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-4-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoic acid CAS Name: 5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]pentanoic acid Traditional Name: 5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-4-[(2-mercapto-3-phenyl-propanoyl)amino]valeric acid Formula: C25H27N3O6S MolecularWeight: 497.56338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S

InChI

InChI=1S/C25H27N3O6S/c29-22(30)11-10-19(27-24(32)21(35)12-15-6-2-1-3-7-15)23(31)28-20(25(33)34)13-16-14-26-18-9-5-4-8-17(16)18/h1-9,14,19-21,26,35H,10-13H2,(H,27,32)(H,28,31)(H,29,30)(H,33,34)