2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-[(2-oxidanylidene-2-phenylmethoxy-ethanoyl)amino]ethylsulfanyl]butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-[(2-oxidanylidene-2-phenylmethoxy-ethanoyl)amino]ethylsulfanyl]butanoic acid Openeye Name: 4-[2-[(2-benzyloxy-2-oxo-acetyl)amino]ethylsulfanyl]-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: 4-[2-[(1,2-dioxo-2-phenylmethoxyethyl)amino]ethylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-[(2-oxo-2-phenylmethoxyacetyl)amino]ethylsulfanyl]butanoic acid Traditional Name: 4-[2-[(2-benzoxy-2-keto-acetyl)amino]ethylthio]-2-(tert-butoxycarbonylamino)butyric acid Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSCCNC(=O)C(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSCCNC(=O)C(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C20H28N2O7S/c1-20(2,3)29-19(27)22-15(17(24)25)9-11-30-12-10-21-16(23)18(26)28-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,23)(H,22,27)(H,24,25)