tert-butyl (2S)-5-(3-morpholin-4-ylpropylamino)-5-oxidanylidene-2-[(4-phenylphenyl)sulfonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-5-(3-morpholin-4-ylpropylamino)-5-oxidanylidene-2-[(4-phenylphenyl)sulfonylamino]pentanoate Openeye Name: tert-butyl (2S)-5-(3-morpholinopropylamino)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoate CAS Name: (2S)-5-[3-(4-morpholinyl)propylamino]-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-(3-morpholin-4-ylpropylamino)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-5-keto-5-(3-morpholinopropylamino)-2-[(4-phenylphenyl)sulfonylamino]valeric acid tert-butyl ester Formula: C28H39N3O6S MolecularWeight: 545.69076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCCCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)NCCCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H39N3O6S/c1-28(2,3)37-27(33)25(14-15-26(32)29-16-7-17-31-18-20-36-21-19-31)30-38(34,35)24-12-10-23(11-13-24)22-8-5-4-6-9-22/h4-6,8-13,25,30H,7,14-21H2,1-3H3,(H,29,32)/t25-/m0/s1