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

Systemtic Name: 4-[benzotriazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-methanoyl-2,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzotriazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-formyl-2,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[1-benzotriazolyl(ethyl)amino]-3-formyl-2,3-dimethyl-4-oxo-2-(1-oxobutylamino)butanoic acid IUPAC Name: 4-[benzotriazol-1-yl(ethyl)amino]-2-(butanoylamino)-3-formyl-2,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[benzotriazol-1-yl(ethyl)amino]-2-butyramido-3-formyl-4-keto-2,3-dimethyl-butyric acid Formula: C19H25N5O5 MolecularWeight: 403.4323

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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)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CCCC(=O)NC(C)(C(=O)O)C(C)(C=O)C(=O)N(CC)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C19H25N5O5/c1-5-9-15(26)20-19(4,17(28)29)18(3,12-25)16(27)23(6-2)24-14-11-8-7-10-13(14)21-22-24/h7-8,10-12H,5-6,9H2,1-4H3,(H,20,26)(H,28,29)