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

Systemtic Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]decanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]decanoic acid CAS Name: (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]decanoic acid IUPAC Name: (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]decanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]capric acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-3-4-5-6-10-13-17(15-19(24)25)20(26)23-18(21(27)22-2)14-16-11-8-7-9-12-16/h7-9,11-12,17-18H,3-6,10,13-15H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t17-,18+/m1/s1