2-azanyl-3,4-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-2-(pentanoylamino)azepane-1-carboxylic acid

Systemtic Name: 2-azanyl-3,4-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-2-(pentanoylamino)azepane-1-carboxylic acid Openeye Name: 2-amino-4-tert-butoxycarbonyl-3-hydroxy-3,4-dimethyl-2-(pentanoylamino)azepane-1-carboxylic acid CAS Name: 2-amino-3-hydroxy-3,4-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(1-oxopentylamino)-1-azepanecarboxylic acid IUPAC Name: 2-amino-3-hydroxy-3,4-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pentanoylamino)azepane-1-carboxylic acid Traditional Name: 2-amino-4-tert-butoxycarbonyl-3-hydroxy-3,4-dimethyl-2-(valerylamino)azepane-1-carboxylic acid Formula: C19H35N3O6 MolecularWeight: 401.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(C(C(CCCN1C(=O)O)(C)C(=O)OC(C)(C)C)(C)O)N

Isomeric SMILES

CCCCC(=O)NC1(C(C(CCCN1C(=O)O)(C)C(=O)OC(C)(C)C)(C)O)N

InChI

InChI=1S/C19H35N3O6/c1-7-8-10-13(23)21-19(20)18(6,27)17(5,14(24)28-16(2,3)4)11-9-12-22(19)15(25)26/h27H,7-12,20H2,1-6H3,(H,21,23)(H,25,26)