(3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]tridecanoic acid

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]tridecanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]tridecanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]tridecanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]tridecanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]tridecanoic acid Formula: C24H38N2O4 MolecularWeight: 418.56952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O4/c1-3-4-5-6-7-8-9-13-16-20(18-22(27)28)23(29)26-21(24(30)25-2)17-19-14-11-10-12-15-19/h10-12,14-15,20-21H,3-9,13,16-18H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1