Endomorphin 1

CAT: 0127-BUP06715-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06715-03Size:25 mg

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CAS Number

189388-22-5

Synonyms

Endomorphin-1

Purity

=95%

Smiles

N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Chemical Information

Endomorphin 1

L-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl- is an oligopeptide.

CAS Number	189388-22-5
PubChem CID	5311080
IUPAC Name	(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular Formula	C34H38N6O5
Molecular Weight	610.7
XLogP	2.4
Topological Polar Surface Area	184
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	45
Formal Charge	0
Complexity	1030

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1

InChIKey

ZEXLJFNSKAHNFH-SYKYGTKKSA-N

Chemical Structure

2D Structure

CAS: 189388-22-5

CID: 5311080

Formula: C34H38N6O5

MW: 610.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	610.7
XLogP3	2.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	610.29036833
Monoisotopic Mass	610.29036833
Topological Polar Surface Area	184 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1030
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
4027684.0025	Endomorphin-1
H-4004.0005	Endomorphin-2
TQ0267-01	Endomorphin 1
T7218-01	Endomorphin 2
GTR19157376-01	Endomorphin 2?

Endomorphin 1

Chemical Information

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