tert-butyl (2S)-3-methyl-2-[[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: tert-butyl (2S)-3-methyl-2-[[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6/c1-13(2)16(18(25)28-20(3,4)5)22-17(24)15(11-23)21-19(26)27-12-14-9-7-6-8-10-14/h6-10,13,15-16,23H,11-12H2,1-5H3,(H,21,26)(H,22,24)/t15-,16-/m0/s1