tert-butyl 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfonyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-methylsulfonyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-mesyl-butanoyl]amino]acetic acid tert-butyl ester Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(CCS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)[C@H](CCS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O7S/c1-19(2,3)28-16(22)12-20-17(23)15(10-11-29(4,25)26)21-18(24)27-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3,(H,20,23)(H,21,24)/t15-/m0/s1