(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O4/c1-12(2)16(18(23)21-17(13(3)4)19(24)25)20-15(22)11-10-14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3,(H,20,22)(H,21,23)(H,24,25)/t16-,17-/m0/s1