4-[benzimidazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-methanoyl-2,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[benzimidazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-methanoyl-2,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzimidazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-formyl-2,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[1-benzimidazolyl(ethyl)amino]-3-formyl-2,3-dimethyl-4-oxo-2-(1-oxobutylamino)butanoic acid IUPAC Name: 4-[benzimidazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-formyl-2,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[benzimidazol-1-yl(ethyl)amino]-2-butyramido-3-formyl-4-keto-2,3-dimethyl-butyric acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)(C(=O)O)C(C)(C=O)C(=O)N(CC)N1C=NC2=CC=CC=C21

Isomeric SMILES

CCCC(=O)NC(C)(C(=O)O)C(C)(C=O)C(=O)N(CC)N1C=NC2=CC=CC=C21

InChI

InChI=1S/C20H26N4O5/c1-5-9-16(26)22-20(4,18(28)29)19(3,12-25)17(27)23(6-2)24-13-21-14-10-7-8-11-15(14)24/h7-8,10-13H,5-6,9H2,1-4H3,(H,22,26)(H,28,29)