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Eflapegrastim
Also known as:
Molecular Formula
C17H32N2O7
Molecular Weight
376.4  g/mol
InChI Key
CJVXHUAPYZJGDW-ILXRZTDVSA-N

1 2D Structure

Eflapegrastim

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-[3-[2-[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]propoxy]ethoxy]propyl]pyrrolidine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C17H32N2O7/c1-13(20)15(17(23)24)18-6-3-9-25-11-12-26-10-4-8-19-7-2-5-14(19)16(21)22/h13-15,18,20H,2-12H2,1H3,(H,21,22)(H,23,24)/t13-,14+,15+/m1/s1
2.1.3 InChI Key
CJVXHUAPYZJGDW-ILXRZTDVSA-N
2.1.4 Canonical SMILES
CC(C(C(=O)O)NCCCOCCOCCCN1CCCC1C(=O)O)O
2.1.5 Isomeric SMILES
C[C@H]([C@@H](C(=O)O)NCCCOCCOCCCN1CCC[C@H]1C(=O)O)O
2.2 Create Date
2014-11-22
3 Chemical and Physical Properties
Molecular Weight 376.4 g/mol
Molecular Formula C17H32N2O7
XLogP3-4.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass376.22095136 g/mol
Monoisotopic Mass376.22095136 g/mol
Topological Polar Surface Area129 Ų
Heavy Atom Count26
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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