Diallyl G

CAT: 0931-T25321-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T25321-02Size:50 mg

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CAS Number

127808-81-5

Target

Others, Opioid Receptor

Related Pathways

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

Bioactivity

Diallyl G is a delta-opioid receptor antagonist agent.

Smiles

[C@H](N(CC=C)CC=C)(CC1=CC=C(O)C=C1)C(N[C@@H](C(NCC(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)CC(C)C)=O

Molecular Formula

C38H53N5O8

Molecular Weight

707.86

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Diallyl G

a delta-opioid receptor antagonist

CAS Number	127808-81-5
PubChem CID	204099
IUPAC Name	(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Molecular Formula	C38H53N5O8
Molecular Weight	707.9
XLogP	3
Topological Polar Surface Area	197
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	22
Heavy Atom Count	51
Formal Charge	0
Complexity	1140

SMILES

CC(C)C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(CC=C)CC=C

InChI

InChI=1S/C38H53N5O8/c1-7-17-43(18-8-2)33(22-27-11-15-29(45)16-12-27)37(49)41-30(19-24(3)4)35(47)39-23-34(46)40-31(21-26-9-13-28(44)14-10-26)36(48)42-32(38(50)51)20-25(5)6/h7-16,24-25,30-33,44-45H,1-2,17-23H2,3-6H3,(H,39,47)(H,40,46)(H,41,49)(H,42,48)(H,50,51)/t30-,31+,32+,33+/m1/s1

InChIKey

WPYLFYWRECLMCS-GJBCSVNNSA-N

Chemical Structure

2D Structure

CAS: 127808-81-5

CID: 204099

Formula: C38H53N5O8

MW: 707.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	707.9
XLogP3	3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	22
Exact Mass	707.38941367
Monoisotopic Mass	707.38941367
Topological Polar Surface Area	197 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1140
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

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Catalog	Name
T36057-01	Diallyl Tetrasulfide
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TSW-00460-01	Methyl 2,3-O-diallyl-4,6-O-benzylidene-α-D-mannopyranoside
TN7688-01	G-4'G-7S
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Alternative Products

Catalog	Name
D03200-01	Diallyl
FD59865-01	Diallyl disulfide
HY-129422	Diallyl G
HY-117235-01	Diallyl Trisulfide
sc-487695	Diallyl Isocyanurate
BUP18797-01	Diallyl phthalate
TRC-D416110-5G	Diallyl Succinate
sc-255079	Diallyl maleate
sc-257314	Diallyl pyrocarbonate
GTR19191627-01	Diallyl Tetrasulfide

Diallyl G

Chemical Information

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