(2S)-2-(1-adamantylsulfinylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-2-(1-adamantylsulfinylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-2-(1-adamantylsulfinylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2S)-2-(1-adamantylsulfinylamino)propanoic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-(1-adamantylsulfinylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-(1-adamantylsulfinylamino)propionic acid; (2S)-proline Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)C12CC3CC(C1)CC(C3)C2.C1CC(NC1)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)O)NS(=O)C12CC3CC(C1)CC(C3)C2.C1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C13H21NO3S.C5H9NO2/c1-8(12(15)16)14-18(17)13-5-9-2-10(6-13)4-11(3-9)7-13;7-5(8)4-2-1-3-6-4/h8-11,14H,2-7H2,1H3,(H,15,16);4,6H,1-3H2,(H,7,8)/t8-,9?,10?,11?,13?,18?;4-/m00/s1