1-[1-(2-azanylpropanoyl)-3-oxidanyl-pyrrolidin-2-yl]carbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[1-(2-azanylpropanoyl)-3-oxidanyl-pyrrolidin-2-yl]carbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[1-(2-aminopropanoyl)-3-hydroxy-pyrrolidine-2-carbonyl]-1-tert-butoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[[1-(2-amino-1-oxopropyl)-3-hydroxy-2-pyrrolidinyl]-oxomethyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[1-(2-aminopropanoyl)-3-hydroxypyrrolidine-2-carbonyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(1-alanyl-3-hydroxy-prolyl)-1-tert-butoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C18H30N3O7+ MolecularWeight: 400.4467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C1C(=O)[N+]2(CCCC2C(=O)O)C(=O)OC(C)(C)C)O)N

Isomeric SMILES

CC(C(=O)N1CCC(C1C(=O)[N+]2(CCCC2C(=O)O)C(=O)OC(C)(C)C)O)N

InChI

InChI=1S/C18H29N3O7/c1-10(19)14(23)20-8-7-12(22)13(20)15(24)21(17(27)28-18(2,3)4)9-5-6-11(21)16(25)26/h10-13,22H,5-9,19H2,1-4H3/p+1