methyl 4-(methylsulfonimidoyl)-2-[[(2S)-2-(propanoylamino)propanoyl]amino]butanoate

Systemtic Name: methyl 4-(methylsulfonimidoyl)-2-[[(2S)-2-(propanoylamino)propanoyl]amino]butanoate Openeye Name: methyl 4-(methylsulfonimidoyl)-2-[[(2S)-2-(propanoylamino)propanoyl]amino]butanoate CAS Name: 4-(methylsulfonimidoyl)-2-[[(2S)-1-oxo-2-(1-oxopropylamino)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(methylsulfonimidoyl)-2-[[(2S)-2-(propanoylamino)propanoyl]amino]butanoate Traditional Name: 4-(methylsulfonimidoyl)-2-[[(2S)-2-propionamidopropanoyl]amino]butyric acid methyl ester Formula: C12H23N3O5S MolecularWeight: 321.39312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)C(=O)NC(CCS(=N)(=O)C)C(=O)OC

Isomeric SMILES

CCC(=O)N[C@@H](C)C(=O)NC(CCS(=N)(=O)C)C(=O)OC

InChI

InChI=1S/C12H23N3O5S/c1-5-10(16)14-8(2)11(17)15-9(12(18)20-3)6-7-21(4,13)19/h8-9,13H,5-7H2,1-4H3,(H,14,16)(H,15,17)/t8-,9?,21?/m0/s1