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

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pentadecanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]pentadecanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]pentadecanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pentadecanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]pentadecanoic acid Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O4/c1-3-4-5-6-7-8-9-10-11-15-18-22(20-24(29)30)25(31)28-23(26(32)27-2)19-21-16-13-12-14-17-21/h12-14,16-17,22-23H,3-11,15,18-20H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1