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

Systemtic Name: tert-butyl 3-methyl-3-nitro-2-[[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: tert-butyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-methyl-3-nitro-butanoate CAS Name: 2-[[(2S)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methyl-3-nitrobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-3-nitrobutanoate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-methyl-3-nitro-butyric acid tert-butyl ester Formula: C20H29N3O8 MolecularWeight: 439.45956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C)(C)[N+](=O)[O-])NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O8/c1-19(2,3)31-17(26)15(20(4,5)23(28)29)22-16(25)14(11-24)21-18(27)30-12-13-9-7-6-8-10-13/h6-10,14-15,24H,11-12H2,1-5H3,(H,21,27)(H,22,25)/t14-,15?/m0/s1