Captopril Related Compound 7

CAT: 1596-AR-C01308-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C01308-01Size:10 Units

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CAS Number

65167-28-4

Synonyms

(S) -1- ((R) -3- (acetylthio) -2-methylpropanoyl) pyrrolidine-2-carboxylic acid; ((R) -3- (acetylthio) -2-methylpropanoyl) -L-proline

Molecular Formula

C11H17NO4S

Molecular Weight

259.32

API Name

Captopril

Chemical Information

1-[(2r)-3-(Acetylsulfanyl)-2-methylpropanoyl]-l-proline

CAS Number	65167-28-4
PubChem CID	689015
IUPAC Name	(2S)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Molecular Formula	C11H17NO4S
Molecular Weight	259.32
XLogP	0.5
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	331

SMILES

C[C@@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O

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-/m0/s1

InChIKey

ZNQRGUYIKSRYCI-CBAPKCEASA-N

Chemical Structure

2D Structure

CAS: 65167-28-4

CID: 689015

Formula: C11H17NO4S

MW: 259.32

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	259.32
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	259.08782920
Monoisotopic Mass	259.08782920
Topological Polar Surface Area	100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
AR-C01320-01	Captopril Related Compound 8
AR-C01318-01	Captopril Related Compound 5
AR-C01312-01	Captopril Related Compound 2
AR-C01310-01	Captopril Related Compound 1
AR-C01316-01	Captopril Related Compound 4
AR-C06016-01	Captopril Related Compound 9
AR-C01309-01	Captopril Related Compound 6
AR-C01314-01	Captopril Related Compound 3
AR-C06014-01	Captopril Related Compound 9-d3
AR-C01313-01	Captopril Related Compound 2-d3

Catalog	Name
RM-C161826-01	Captopril Related Compound 4
CS-EG-03533	Tramadol Related Compound A
LBA32143-01	Naphazoline Related Compound A
KCA72991-01	Trimethoprim Related Compound A
IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A
CS-CY-00056	Travoprost Related Compound A