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

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptadecanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]heptadecanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptadecanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]heptadecanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]heptadecanoic acid Formula: C28H46N2O4 MolecularWeight: 474.67584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(22-26(31)32)27(33)30-25(28(34)29-2)21-23-18-15-14-16-19-23/h14-16,18-19,24-25H,3-13,17,20-22H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)/t24-,25+/m1/s1