2-azanyl-3-phenyl-propanamide; 2-(hexanoylamino)-4-methyl-pentanoic acid

Systemtic Name: 2-azanyl-3-phenyl-propanamide; 2-(hexanoylamino)-4-methyl-pentanoic acid Openeye Name: 2-amino-3-phenyl-propanamide; 2-(hexanoylamino)-4-methyl-pentanoic acid CAS Name: 2-amino-3-phenylpropanamide; 4-methyl-2-(1-oxohexylamino)pentanoic acid IUPAC Name: 2-amino-3-phenylpropanamide; 2-(hexanoylamino)-4-methylpentanoic acid Traditional Name: 2-amino-3-phenyl-propionamide; 2-(caproylamino)-4-methyl-valeric acid Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC(C)C)C(=O)O.C1=CC=C(C=C1)CC(C(=O)N)N

Isomeric SMILES

CCCCCC(=O)NC(CC(C)C)C(=O)O.C1=CC=C(C=C1)CC(C(=O)N)N

InChI

InChI=1S/C12H23NO3.C9H12N2O/c1-4-5-6-7-11(14)13-10(12(15)16)8-9(2)3;10-8(9(11)12)6-7-4-2-1-3-5-7/h9-10H,4-8H2,1-3H3,(H,13,14)(H,15,16);1-5,8H,6,10H2,(H2,11,12)