2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[(4-benzoylphenyl)methylsulfanyl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[(4-benzoylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-benzoylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[(4-benzoylbenzyl)thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H25NO5S/c1-22(2,3)28-21(27)23-18(20(25)26)14-29-13-15-9-11-17(12-10-15)19(24)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,27)(H,25,26)