3-(4-hydroxyphenyl)-2-[[3-[(3-methyl-2-sulfanyl-butanoyl)amino]-3-bicyclo[2.2.1]heptanyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-[(3-methyl-2-sulfanyl-butanoyl)amino]-3-bicyclo[2.2.1]heptanyl]carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]norbornane-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[[3-[(2-mercapto-3-methyl-1-oxobutyl)amino]-3-bicyclo[2.2.1]heptanyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-[(3-methyl-2-sulfanylbutanoyl)amino]bicyclo[2.2.1]heptane-3-carbonyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]norbornane-2-carbonyl]amino]propionic acid Formula: C22H30N2O5S MolecularWeight: 434.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CC2CCC1C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CC2CCC1C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S

InChI

InChI=1S/C22H30N2O5S/c1-12(2)18(30)19(26)24-22(11-14-3-6-15(22)9-14)21(29)23-17(20(27)28)10-13-4-7-16(25)8-5-13/h4-5,7-8,12,14-15,17-18,25,30H,3,6,9-11H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)