[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: (2S)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H26N4O8S MolecularWeight: 482.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC#C)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC#C)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O8S/c1-4-7-21-18(25)13-32-20(26)19(14(2)3)22-16-6-5-15(12-17(16)24(27)28)33(29,30)23-8-10-31-11-9-23/h1,5-6,12,14,19,22H,7-11,13H2,2-3H3,(H,21,25)/t19-/m0/s1