(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-(phenylmethyl)amino]-N,4-dimethyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-(phenylmethyl)amino]-N,4-dimethyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-benzyl-amino]-N,4-dimethyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-(phenylmethyl)amino]-N,4-dimethylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-benzylamino]-N,4-dimethylpentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-benzyl-amino]-N,4-dimethyl-valeramide Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)N(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC)N(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C23H31N3O2/c1-17(2)14-21(22(27)25-3)26(16-19-12-8-5-9-13-19)23(28)20(24)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16,24H2,1-3H3,(H,25,27)/t20-,21-/m0/s1