(2S)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxyamino)pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxyamino)pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxyamino)-4-methyl-pentanoyl]amino]-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxyamino)pentyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxyamino)pentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzoxyamino)-4-methyl-pentanoyl]amino]-3-(4-hydroxy-3,5-dimethyl-phenyl)propionic acid Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)O)NC(=O)C(CC(C)C)NOCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NOCC2=CC=CC=C2

InChI

InChI=1S/C24H32N2O5/c1-15(2)10-20(26-31-14-18-8-6-5-7-9-18)23(28)25-21(24(29)30)13-19-11-16(3)22(27)17(4)12-19/h5-9,11-12,15,20-21,26-27H,10,13-14H2,1-4H3,(H,25,28)(H,29,30)/t20-,21-/m0/s1