2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoic acid

Systemtic Name: 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoic acid Openeye Name: 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoic acid CAS Name: 2-[[(2S)-4-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]pentyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoic acid Traditional Name: 2-[[(2S)-2-(hydrocinnamoylamino)-4-methyl-pentanoyl]amino]butyric acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-4-15(19(24)25)21-18(23)16(12-13(2)3)20-17(22)11-10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t15?,16-/m0/s1