N-cyclohexylcyclohexanamine; (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]nonadecanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]nonadecanoic acid Openeye Name: (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]nonadecanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (3R)-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]nonadecanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (3R)-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]nonadecanoic acid Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]nonadecanoic acid; dicyclohexylamine Formula: C42H73N3O4 MolecularWeight: 684.04672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C30H50N2O4.C12H23N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(33)34)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h16-18,20-21,26-27H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34);11-13H,1-10H2/t26-,27+;/m1./s1