2-[2-[2-azanylethanoyl(phenyl)amino]propanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[2-azanylethanoyl(phenyl)amino]propanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[2-(N-(2-aminoacetyl)anilino)propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(N-(2-amino-1-oxoethyl)anilino)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-(N-(2-aminoacetyl)anilino)propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[2-(N-glycylanilino)propanoylamino]-4-methyl-valeric acid Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C)N(C1=CC=CC=C1)C(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(C)N(C1=CC=CC=C1)C(=O)CN

InChI

InChI=1S/C17H25N3O4/c1-11(2)9-14(17(23)24)19-16(22)12(3)20(15(21)10-18)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,18H2,1-3H3,(H,19,22)(H,23,24)