Name: Name:1-[(2S)-3-(Acetylthio)-2-methylpropionyl]-l-proline hydrate
Brand: Angene
SKU: AG003BOQ
Rating: 90 (10 reviews)

1-[(2S)-3-(Acetylthio)-2-methylpropionyl]-l-proline hydrate

CAS No.:

64838-55-7

Catalog Number:

AG003BOQ

Molecular Formula:

C11H17NO4S

Molecular Weight:

259.3220

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>90.0%(T)

1 week

United States

$203

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Product Description

Catalog Number:

AG003BOQ

Chemical Name:

1-[(2S)-3-(Acetylthio)-2-methylpropionyl]-l-proline hydrate

CAS Number:

64838-55-7

Molecular Formula:

C11H17NO4S

Molecular Weight:

259.3220

MDL Number:

MFCD07809564

IUPAC Name:

(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m1/s1

InChI Key:

ZNQRGUYIKSRYCI-APPZFPTMSA-N

SMILES:

CC(=O)SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C

EC Number:

265-250-7

UNII:

Y139M16FXG

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.32g/mol

Monoisotopic Mass:

259.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties