pyridin-2-ylmethyl N-[1-(3-methylbutanoylamino)-3,4-bis(oxidanyl)hexyl]carbamate

Systemtic Name: pyridin-2-ylmethyl N-[1-(3-methylbutanoylamino)-3,4-bis(oxidanyl)hexyl]carbamate Openeye Name: 2-pyridylmethyl N-[3,4-dihydroxy-1-(3-methylbutanoylamino)hexyl]carbamate CAS Name: N-[3,4-dihydroxy-1-[(3-methyl-1-oxobutyl)amino]hexyl]carbamic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl N-[3,4-dihydroxy-1-(3-methylbutanoylamino)hexyl]carbamate Traditional Name: N-[3,4-dihydroxy-1-(isovalerylamino)hexyl]carbamic acid 2-pyridylmethyl ester Formula: C18H29N3O5 MolecularWeight: 367.43996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(NC(=O)CC(C)C)NC(=O)OCC1=CC=CC=N1)O)O

Isomeric SMILES

CCC(C(CC(NC(=O)CC(C)C)NC(=O)OCC1=CC=CC=N1)O)O

InChI

InChI=1S/C18H29N3O5/c1-4-14(22)15(23)10-16(20-17(24)9-12(2)3)21-18(25)26-11-13-7-5-6-8-19-13/h5-8,12,14-16,22-23H,4,9-11H2,1-3H3,(H,20,24)(H,21,25)