(3S)-3-[[(1R)-2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]dodecanoic acid

Systemtic Name: (3S)-3-[[(1R)-2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]dodecanoic acid Openeye Name: (3S)-3-[[(1R)-2-(methylamino)-2-oxo-1-phenyl-ethyl]carbamoyl]dodecanoic acid CAS Name: (3S)-3-[[[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-oxomethyl]dodecanoic acid IUPAC Name: (3S)-3-[[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]dodecanoic acid Traditional Name: (3S)-3-[[(1R)-2-keto-2-(methylamino)-1-phenyl-ethyl]carbamoyl]lauric acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-3-4-5-6-7-8-10-15-18(16-19(25)26)21(27)24-20(22(28)23-2)17-13-11-9-12-14-17/h9,11-14,18,20H,3-8,10,15-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,20+/m0/s1