(2S)-1-[2-[(3-oxidanyl-1-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile; 2-oxidanylbutanedioic acid

Systemtic Name: (2S)-1-[2-[(3-oxidanyl-1-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile; 2-oxidanylbutanedioic acid Openeye Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; 2-hydroxybutanedioic acid CAS Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile; 2-hydroxybutanedioic acid IUPAC Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; 2-hydroxybutanedioic acid Traditional Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; malic acid Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C17H25N3O2.C4H6O5/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16;5-2(4(8)9)1-3(6)7/h12-14,19,22H,1-8,10-11H2;2,5H,1H2,(H,6,7)(H,8,9)/t12?,13?,14-,16?,17?;/m0./s1