PD 132002

CAT: 0931-T28328-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T28328-03Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

134452-04-3

Target

RAAS, Others

Related Pathways

Endocrinology/Hormones, Others

Bioactivity

PD 132002 is a renin inhibitor.

Smiles

C(CC1=CC=CC=C1)(C(NC(C(NC(CC2CCCCC2)C(C(CC(C)C)O)O)=O)C(OC)=O)=O)NS(=O)(=O)N3CCOCC3

Molecular Formula

C31H50N4O9S

Molecular Weight

654.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PD 132002

structure given in first source

CAS Number	134452-04-3
PubChem CID	5487417
IUPAC Name	methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate
Molecular Formula	C31H50N4O9S
Molecular Weight	654.8
XLogP	3.3
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	17
Heavy Atom Count	45
Formal Charge	0
Complexity	1040

SMILES

CC(C)C[C@@H](C([C@H](CC1CCCCC1)N[C@H](C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)C(=O)OC)O)O

InChI

InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-27(31(40)43-3)30(39)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,32,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,33,38,39)/t24-,25-,26-,27+,28?/m0/s1

InChIKey

KVWIDDBNLMCWAT-QSKQZBQPSA-N

Chemical Structure

2D Structure

CAS: 134452-04-3

CID: 5487417

Formula: C31H50N4O9S

MW: 654.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	654.8
XLogP3	3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	17
Exact Mass	654.32985036
Monoisotopic Mass	654.32985036
Topological Polar Surface Area	192 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-129695	PD 132002

PD 132002

Chemical Information

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