tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[4-[2-(benzyloxycarbonylamino)ethylsulfanyl]-2-(tert-butoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-[2-(phenylmethoxycarbonylamino)ethylthio]butyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[2-(benzyloxycarbonylamino)ethylthio]-2-(tert-butoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H43N3O7S MolecularWeight: 565.72192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CCSCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CCSCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H43N3O7S/c1-27(2,3)37-24(33)22-13-10-16-31(22)23(32)21(30-26(35)38-28(4,5)6)14-17-39-18-15-29-25(34)36-19-20-11-8-7-9-12-20/h7-9,11-12,21-22H,10,13-19H2,1-6H3,(H,29,34)(H,30,35)