(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]pentanedioic acid Openeye Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]pentanedioic acid CAS Name: (2S)-2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]pentanedioic acid Traditional Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]glutaric acid Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H35N3O6/c26-18(24-17(20(29)30)5-6-19(27)28)4-2-1-3-7-23-21(31)25-22-11-14-8-15(12-22)10-16(9-14)13-22/h14-17H,1-13H2,(H,24,26)(H,27,28)(H,29,30)(H2,23,25,31)/t14?,15?,16?,17-,22?/m0/s1