1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dipotassium;2-[[1-[2-[[3-methylbutoxy(oxido)phosphoryl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoate

2.1.2 InChI

InChI=1S/C15H28N3O7P.2K/c1-10(2)6-8-25-26(23,24)16-9-13(19)18-7-4-5-12(18)14(20)17-11(3)15(21)22;;/h10-12H,4-9H2,1-3H3,(H,17,20)(H,21,22)(H2,16,23,24);;/q;2*+1/p-2

2.1.3 InChI Key

DTEQBACKLXLPHP-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC(C)CCOP(=O)(NCC(=O)N1CCCC1C(=O)NC(C)C(=O)[O-])[O-].[K+].[K+]

2.2 Create Date

2009-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₆K₂N₃O₇P
Molecular Weight	469.55 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	469.0782501 g/mol
Monoisotopic Mass	469.0782501 g/mol
Topological Polar Surface Area	151 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	556
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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