2-[2-(2-benzamidoethanoylamino)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(2-benzamidoethanoylamino)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[(2-benzamidoacetyl)amino]propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2-benzamido-1-oxoethyl)amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-[(2-benzamidoacetyl)amino]propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-(hippuroylamino)propanoylamino]-3-methyl-butyric acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H23N3O5/c1-10(2)14(17(24)25)20-15(22)11(3)19-13(21)9-18-16(23)12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)(H,24,25)