(2S)-1-[6-(1-adamantylcarbamoylamino)hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[6-(1-adamantylcarbamoylamino)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[6-(1-adamantylcarbamoylamino)hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[6-(1-adamantylcarbamoylamino)hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[6-(1-adamantylcarbamoylamino)hexanoyl]proline Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C22H35N3O4/c26-19(25-8-4-5-18(25)20(27)28)6-2-1-3-7-23-21(29)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18H,1-14H2,(H,27,28)(H2,23,24,29)/t15?,16?,17?,18-,22?/m0/s1