tert-butyl 2-azanyl-5-[[(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-4-phenylazanyl-butanoyl]amino]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-5-[[(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-4-phenylazanyl-butanoyl]amino]benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-5-[[(2R,3R)-4-anilino-2,3-dihydroxy-4-oxo-butanoyl]amino]benzimidazole-1-carboxylate CAS Name: 2-amino-5-[[(2R,3R)-4-anilino-2,3-dihydroxy-1,4-dioxobutyl]amino]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-5-[[(2R,3R)-4-anilino-2,3-dihydroxy-4-oxobutanoyl]amino]benzimidazole-1-carboxylate Traditional Name: 2-amino-5-[[(2R,3R)-4-anilino-2,3-dihydroxy-4-keto-butanoyl]amino]benzimidazole-1-carboxylic acid tert-butyl ester Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC(=O)C(C(C(=O)NC3=CC=CC=C3)O)O)N=C1N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC(=O)[C@@H]([C@H](C(=O)NC3=CC=CC=C3)O)O)N=C1N

InChI

InChI=1S/C22H25N5O6/c1-22(2,3)33-21(32)27-15-10-9-13(11-14(15)26-20(27)23)25-19(31)17(29)16(28)18(30)24-12-7-5-4-6-8-12/h4-11,16-17,28-29H,1-3H3,(H2,23,26)(H,24,30)(H,25,31)/t16-,17-/m1/s1