2-(butoxycarbonylamino)-4-methyl-pentanoic acid hydrate

Systemtic Name: 2-(butoxycarbonylamino)-4-methyl-pentanoic acid hydrate Openeye Name: 2-(butoxycarbonylamino)-4-methyl-pentanoic acid hydrate CAS Name: 2-[[butoxy(oxo)methyl]amino]-4-methylpentanoic acid hydrate IUPAC Name: 2-(butoxycarbonylamino)-4-methylpentanoic acid hydrate Traditional Name: 2-(butoxycarbonylamino)-4-methyl-valeric acid hydrate Formula: C11H23NO5 MolecularWeight: 249.30402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC(C)C)C(=O)O.O

Isomeric SMILES

CCCCOC(=O)NC(CC(C)C)C(=O)O.O

InChI

InChI=1S/C11H21NO4.H2O/c1-4-5-6-16-11(15)12-9(10(13)14)7-8(2)3;/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14);1H2