tert-butyl (2S)-3-methyl-2-[[(2R,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoate

Systemtic Name: tert-butyl (2S)-3-methyl-2-[[(2R,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoate Openeye Name: tert-butyl (2S)-2-[[(2R,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R,3R)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6/c1-13(2)16(19(26)29-21(4,5)6)22-18(25)17(14(3)24)23-20(27)28-12-15-10-8-7-9-11-15/h7-11,13-14,16-17,24H,12H2,1-6H3,(H,22,25)(H,23,27)/t14-,16+,17-/m1/s1