2-azanyl-3-(cyclohexylmethyl)-6-(1H-imidazol-5-yl)-2-oxidanyl-4-oxidanylidene-5-(4-oxidanylidenebutanoylamino)hexanoic acid

Systemtic Name: 2-azanyl-3-(cyclohexylmethyl)-6-(1H-imidazol-5-yl)-2-oxidanyl-4-oxidanylidene-5-(4-oxidanylidenebutanoylamino)hexanoic acid Openeye Name: 2-amino-3-(cyclohexylmethyl)-2-hydroxy-6-(1H-imidazol-5-yl)-4-oxo-5-(4-oxobutanoylamino)hexanoic acid CAS Name: 2-amino-3-(cyclohexylmethyl)-5-(1,4-dioxobutylamino)-2-hydroxy-6-(1H-imidazol-5-yl)-4-oxohexanoic acid IUPAC Name: 2-amino-3-(cyclohexylmethyl)-2-hydroxy-6-(1H-imidazol-5-yl)-4-oxo-5-(4-oxobutanoylamino)hexanoic acid Traditional Name: 2-amino-3-(cyclohexylmethyl)-2-hydroxy-6-(1H-imidazol-5-yl)-4-keto-5-(4-ketobutanoylamino)hexanoic acid Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)C(CC2=CN=CN2)NC(=O)CCC=O)C(C(=O)O)(N)O

Isomeric SMILES

C1CCC(CC1)CC(C(=O)C(CC2=CN=CN2)NC(=O)CCC=O)C(C(=O)O)(N)O

InChI

InChI=1S/C20H30N4O6/c21-20(30,19(28)29)15(9-13-5-2-1-3-6-13)18(27)16(10-14-11-22-12-23-14)24-17(26)7-4-8-25/h8,11-13,15-16,30H,1-7,9-10,21H2,(H,22,23)(H,24,26)(H,28,29)