3-(4-hydroxyphenyl)-2-[[1-[(1-sulfanylcyclopentyl)carbonylamino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[1-[(1-sulfanylcyclopentyl)carbonylamino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[1-[(1-sulfanylcyclopentanecarbonyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[[1-[[(1-mercaptocyclopentyl)-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[1-[(1-sulfanylcyclopentanecarbonyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[1-[(1-mercaptocyclopentanecarbonyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C3(CCCC3)S

Isomeric SMILES

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C3(CCCC3)S

InChI

InChI=1S/C21H28N2O5S/c24-15-7-5-14(6-8-15)13-16(17(25)26)22-18(27)20(9-1-2-10-20)23-19(28)21(29)11-3-4-12-21/h5-8,16,24,29H,1-4,9-13H2,(H,22,27)(H,23,28)(H,25,26)