3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylsulfanylmethyl]-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylsulfanylmethyl]-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-benzyl-3-[2-(tert-butoxycarbonylamino)acetyl]sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-benzyl-3-[[2-(tert-butoxycarbonylamino)acetyl]thio]propanoyl]amino]benzoic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C24H28N2O6S/c1-24(2,3)32-23(31)25-14-20(27)33-15-18(12-16-8-5-4-6-9-16)21(28)26-19-11-7-10-17(13-19)22(29)30/h4-11,13,18H,12,14-15H2,1-3H3,(H,25,31)(H,26,28)(H,29,30)