(2S)-N,4-dimethyl-2-[[(2S)-2-(2-phenylethanoylamino)propanoyl]amino]pentanamide

Systemtic Name: (2S)-N,4-dimethyl-2-[[(2S)-2-(2-phenylethanoylamino)propanoyl]amino]pentanamide Openeye Name: (2S)-N,4-dimethyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]pentanamide CAS Name: (2S)-N,4-dimethyl-2-[[(2S)-1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]amino]pentanamide IUPAC Name: (2S)-N,4-dimethyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]pentanamide Traditional Name: (2S)-N,4-dimethyl-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]valeramide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H27N3O3/c1-12(2)10-15(18(24)19-4)21-17(23)13(3)20-16(22)11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,19,24)(H,20,22)(H,21,23)/t13-,15-/m0/s1