2-azanylpentanoic acid; 2-(3-methylbutanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-azanylpentanoic acid; 2-(3-methylbutanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-aminopentanoic acid; 2-(3-methylbutanoylamino)-3-phenyl-propanoic acid CAS Name: 2-aminopentanoic acid; 2-[(3-methyl-1-oxobutyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-aminopentanoic acid; 2-(3-methylbutanoylamino)-3-phenylpropanoic acid Traditional Name: 2-aminovaleric acid; 2-(isovalerylamino)-3-phenyl-propionic acid Formula: C19H30N2O5 MolecularWeight: 366.4519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N.CC(C)CC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCC(C(=O)O)N.CC(C)CC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO3.C5H11NO2/c1-10(2)8-13(16)15-12(14(17)18)9-11-6-4-3-5-7-11;1-2-3-4(6)5(7)8/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18);4H,2-3,6H2,1H3,(H,7,8)