Monomethylauristatin E Impurity 4

CAT: 1299-RM-M752004-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M752004-01Size:10 mg

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CAS Number

157967-06-1

Synonyms

(2R,3S) -3- ((S) -1- (tert-butoxycarbonyl) pyrrolidin-2-yl) -3-methoxy-2-methylpropanoic acid

Molecular Formula

C14H25NO5

Molecular Weight

287.36

Target Alternative Name

Monomethylauristatin E

Chemical Information

(2R,3S)-3-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid

CAS Number	157967-06-1
PubChem CID	11778806
IUPAC Name	(2R,3S)-3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
Molecular Formula	C14H25NO5
Molecular Weight	287.35
XLogP	1.7
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	363

SMILES

C[C@H]([C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)O

InChI

InChI=1S/C14H25NO5/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3,(H,16,17)/t9-,10+,11+/m1/s1

InChIKey

LNEHHTWYEBGHBY-VWYCJHECSA-N

Chemical Structure

2D Structure

CAS: 157967-06-1

CID: 11778806

Formula: C14H25NO5

MW: 287.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.35
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	287.17327290
Monoisotopic Mass	287.17327290
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M752013-01	Monomethylauristatin E Impurity 13
RM-M752011-01	Monomethylauristatin E Impurity 11
RM-M752002-01	Monomethylauristatin E Impurity 2
RM-M752008-01	Monomethylauristatin E Impurity 8
RM-M752006-01	Monomethylauristatin E Impurity 6
RM-M752010-01	Monomethylauristatin E Impurity 10
RM-M752012-01	Monomethylauristatin E Impurity 12
RM-M752009-01	Monomethylauristatin E Impurity 9
RM-M752007-01	Monomethylauristatin E Impurity 7
RM-M752005-01	Monomethylauristatin E Impurity 5

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