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

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]octadecanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]octadecanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]octadecanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]octadecanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]stearic acid Formula: C29H48N2O4 MolecularWeight: 488.70242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(23-27(32)33)28(34)31-26(29(35)30-2)22-24-19-16-15-17-20-24/h15-17,19-20,25-26H,3-14,18,21-23H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1