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Suanfarma Suanfarma

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Technical details about Collagenase Inhibitor, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as:
Molecular Formula
C15H26K2N3O7P
Molecular Weight
469.55  g/mol
InChI Key
DTEQBACKLXLPHP-UHFFFAOYSA-L

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 Weight 469.55 g/mol
Molecular Formula C15H26K2N3O7P
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass469.0782501 g/mol
Monoisotopic Mass469.0782501 g/mol
Topological Polar Surface Area151 Ų
Heavy Atom Count28
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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