Monomethylauristatin E Impurity 11

CAT: 1299-RM-M752011-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M752011-01Size:10 mg

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CAS Number

177423-00-6

Synonyms

Tert-butyl (3R,4S,5S) -4- ((S) -2-amino-N,3-dimethylbutanamido) -3-methoxy-5-methylheptanoate

Molecular Formula

C19H38N2O4

Molecular Weight

358.52

Target Alternative Name

Monomethylauristatin

Chemical Information

(3R,4S,5S)-tert-butyl 4-((S)-2-amino-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoate

CAS Number	177423-00-6
PubChem CID	10546343
IUPAC Name	tert-butyl (3R,4S,5S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate
Molecular Formula	C19H38N2O4
Molecular Weight	358.5
XLogP	2.7
Topological Polar Surface Area	81.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	25
Formal Charge	0
Complexity	432

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C19H38N2O4/c1-10-13(4)17(21(8)18(23)16(20)12(2)3)14(24-9)11-15(22)25-19(5,6)7/h12-14,16-17H,10-11,20H2,1-9H3/t13-,14+,16-,17-/m0/s1

InChIKey

NBLWRFNWDBPHKB-FSDCSDTHSA-N

Chemical Structure

2D Structure

CAS: 177423-00-6

CID: 10546343

Formula: C19H38N2O4

MW: 358.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.5
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	358.28315770
Monoisotopic Mass	358.28315770
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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-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
RM-M752004-01	Monomethylauristatin E Impurity 4

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