GR-73632

CAT: 0931-TP1572-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-TP1572-04Size:25 mg

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

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CAS Number

133156-06-6

Target

Neurokinin receptor

Related Pathways

Neuroscience, GPCR/G Protein

Purity

0.9968

Bioactivity

Potent and selective tachykinin NK1 receptor agonist (EC50 = 2 nM in guinea pig vas deferens) .

Smiles

CSCC[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O

Molecular Formula

C40H59N7O6S

Molecular Weight

766

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

GR 73632

neurokinin receptor agonist

CAS Number	133156-06-6
PubChem CID	119599
IUPAC Name	(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
Molecular Formula	C40H59N7O6S
Molecular Weight	766.0
XLogP	3.2
Topological Polar Surface Area	222
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	22
Heavy Atom Count	54
Formal Charge	0
Complexity	1230

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCCCN

InChI

InChI=1S/C40H59N7O6S/c1-27(2)24-34(38(51)44-30(36(42)49)20-23-54-4)46(3)40(53)33-18-13-22-47(33)39(52)32(26-29-16-9-6-10-17-29)45-37(50)31(25-28-14-7-5-8-15-28)43-35(48)19-11-12-21-41/h5-10,14-17,27,30-34H,11-13,18-26,41H2,1-4H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1

InChIKey

HQKPTSSZOJLFBZ-LJADHVKFSA-N

Chemical Structure

2D Structure

CAS: 133156-06-6

CID: 119599

Formula: C40H59N7O6S

MW: 766.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	766.0
XLogP3	3.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	22
Exact Mass	765.42475380
Monoisotopic Mass	765.42475380
Topological Polar Surface Area	222 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1230
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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