(3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2-methylidene-hexanoic acid

Systemtic Name: (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2-methylidene-hexanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-methyl-2-methylene-hexanoic acid CAS Name: (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-methylenehexanoic acid IUPAC Name: (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-methylidenehexanoic acid Traditional Name: 2-[(1R)-1-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-methyl-butyl]acrylic acid Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-12(2)10-15(13(3)19(24)25)17(22)21-16(18(23)20-4)11-14-8-6-5-7-9-14/h5-9,12,15-16H,3,10-11H2,1-2,4H3,(H,20,23)(H,21,22)(H,24,25)/t15-,16+/m1/s1