(2S)-4-methyl-2-[[(2S)-2-(2-phenylethanoylamino)propanoyl]amino]pentanamide

Systemtic Name: (2S)-4-methyl-2-[[(2S)-2-(2-phenylethanoylamino)propanoyl]amino]pentanamide Openeye Name: (2S)-4-methyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]pentanamide CAS Name: (2S)-4-methyl-2-[[(2S)-1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]amino]pentanamide IUPAC Name: (2S)-4-methyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]pentanamide Traditional Name: (2S)-4-methyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]valeramide Formula: C17H25N3O3 MolecularWeight: 319.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O3/c1-11(2)9-14(16(18)22)20-17(23)12(3)19-15(21)10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H2,18,22)(H,19,21)(H,20,23)/t12-,14-/m0/s1