2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoic acid Openeye Name: 4-[1-(benzyloxycarbonylamino)ethylsulfanyl]-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[1-(phenylmethoxycarbonylamino)ethylthio]butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoic acid Traditional Name: 4-[1-(benzyloxycarbonylamino)ethylthio]-2-(tert-butoxycarbonylamino)butyric acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-13(20-17(24)26-12-14-8-6-5-7-9-14)28-11-10-15(16(22)23)21-18(25)27-19(2,3)4/h5-9,13,15H,10-12H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)