[(3aS,6R,6aR)-4-ethanoyl-6-ethyl-5-oxidanylidene-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl] (2S)-3-methyl-2-(phenylmethoxyamino)butanoate

Systemtic Name: [(3aS,6R,6aR)-4-ethanoyl-6-ethyl-5-oxidanylidene-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl] (2S)-3-methyl-2-(phenylmethoxyamino)butanoate Openeye Name: [(3aS,6R,6aR)-4-acetyl-6-ethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl] (2S)-2-(benzyloxyamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxyamino)butanoic acid [(3aS,6R,6aR)-4-acetyl-6-ethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl] ester IUPAC Name: [(3aS,6R,6aR)-4-acetyl-6-ethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl] (2S)-3-methyl-2-(phenylmethoxyamino)butanoate Traditional Name: (2S)-2-(benzoxyamino)-3-methyl-butyric acid [(3aS,6R,6aR)-4-acetyl-6-ethyl-5-keto-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C(CCN2OC(=O)C(C(C)C)NOCC3=CC=CC=C3)N(C1=O)C(=O)C

Isomeric SMILES

CC[C@@H]1[C@@H]2[C@H](CCN2OC(=O)[C@H](C(C)C)NOCC3=CC=CC=C3)N(C1=O)C(=O)C

InChI

InChI=1S/C22H31N3O5/c1-5-17-20-18(25(15(4)26)21(17)27)11-12-24(20)30-22(28)19(14(2)3)23-29-13-16-9-7-6-8-10-16/h6-10,14,17-20,23H,5,11-13H2,1-4H3/t17-,18+,19+,20-/m1/s1