TIPP

CAT: 0931-T20496-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T20496-01Size:25 mg

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

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CAS Number

146369-65-5

Target

Opioid Receptor, Others

Related Pathways

Endocrinology/Hormones, Neuroscience, Others, GPCR/G Protein

Bioactivity

TIPP is an agent of delta opioid antagonist.

Smiles

C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)(=O)[C@H]3N(C([C@H](CC4=CC=C(O)C=C4)N)=O)CC=5C(C3)=CC=CC5

Molecular Formula

C37H38N4O6

Molecular Weight

634.72

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine

a delta opioid antagonist

CAS Number	146369-65-5
PubChem CID	644210
IUPAC Name	(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Molecular Formula	C37H38N4O6
Molecular Weight	634.7
XLogP	2
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	47
Formal Charge	0
Complexity	1050

SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1

InChIKey

JYOUATXRHWNDDW-YRCZKMHPSA-N

Chemical Structure

2D Structure

CAS: 146369-65-5

CID: 644210

Formula: C37H38N4O6

MW: 634.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	634.7
XLogP3	2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	634.27913494
Monoisotopic Mass	634.27913494
Topological Polar Surface Area	162 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1050
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

Related Products

Catalog	Name
TP1688-01	TIP 39, Tuberoinfundibular Neuropeptide
TNU1200-01	3',5'-TIPS-N-Ac-Adenosine
TNU1202-01	3',5'-TIPS-N-PAc-Guanosine

Alternative Products

Catalog	Name
H-5776.0005	TIPP
050-22	TIPP / delta-Opioid Antagonist

TIPP

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