Adrenorphin, Free Acid

CAT: 0607-A1017-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-A1017-10Size:10 mg

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Description

μ/κ opioid receptor agonist

CAS Number

88866-92-6

Product Name Alternative

1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

Sequence

Adrenorphin, Free Acid,H2N-Tyr-Gly-Gly-Phe-Met-Arg-Arg-Val-OH

Field of Research

Neuroscience Neuroscience Peptides

Purity

0.98

Form

A solid

Solubility

≥27.75 mg/mL in H2O with ultrasonic; ≥5.64 mg/mL in EtOH with ultrasonic; ≥98.5 mg/mL in DMSO

Smiles

CC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N

Molecular Formula

C44H68N14O10S

Molecular Weight

985.16

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

L-Tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithyl-L-valine

CAS Number	88866-92-6
PubChem CID	71308699
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid
Molecular Formula	C44H68N14O10S
Molecular Weight	985.2
XLogP	-3.5
Topological Polar Surface Area	441
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	31
Heavy Atom Count	69
Formal Charge	0
Complexity	1730

SMILES

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

InChI

InChI=1S/C44H68N14O10S/c1-25(2)36(42(67)68)58-40(65)31(12-8-19-51-44(48)49)56-38(63)30(11-7-18-50-43(46)47)55-39(64)32(17-20-69-3)57-41(66)33(22-26-9-5-4-6-10-26)54-35(61)24-52-34(60)23-53-37(62)29(45)21-27-13-15-28(59)16-14-27/h4-6,9-10,13-16,25,29-33,36,59H,7-8,11-12,17-24,45H2,1-3H3,(H,52,60)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,66)(H,58,65)(H,67,68)(H4,46,47,50)(H4,48,49,51)/t29-,30-,31-,32-,33-,36-/m0/s1

InChIKey

ZBRXWGQCHSFAHM-MWSMAVIUSA-N

Chemical Structure

2D Structure

CAS: 88866-92-6

CID: 71308699

Formula: C44H68N14O10S

MW: 985.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	985.2
XLogP3	-3.5
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	31
Exact Mass	984.49635559
Monoisotopic Mass	984.49635559
Topological Polar Surface Area	441 Å²
Heavy Atom Count	69
Formal Charge	0
Complexity	1730
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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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GTR19066864-01	Adrenorphin, Free Acid
MBS8246029-01	Adrenorphin (Free acid)
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abx265887-01	Adrenorphin, Free Acid Peptide
SP-88439-5	Adrenorphin, Free Acid (AA: Tyr-Gly-Gly-Phe-Met-Arg-Arg-Val) (MW: 985.18)
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MBS3612653-01	Adrenorphin 3TFA(88377-68-8(free base))
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Adrenorphin, Free Acid

Chemical Information

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