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(Ala2) -Leu-Enkephalin

CAT: 0926-FA108404-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FA108404-01Size:50 mg
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CAS Number
60284-47-1
Synonyms
H-Tyr-Ala-Gly-Phe-Leu-OH; H-YAGFL-OH
MDL Number
MFCD00214079
Smiles
C[C@@H] (C (=O) NCC (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) N[C@@H] (CC (C) C) C (=O) O) NC (=O) [C@H] (CC2=CC=C (C=C2) O) N
Molecular Formula
C29H39N5O7
Molecular Weight
569.65 g/mol
Controlled
No

Chemical Information

(Ala2)-Leu-Enkephalin
CAS Number60284-47-1
PubChem CID13019201
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC29H39N5O7
Molecular Weight569.6
XLogP-1.9
Topological Polar Surface Area200
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count41
Formal Charge0
Complexity885
SMILES
C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22-,23-,24-/m0/s1
InChIKey
ZHUJMSMQIPIPTF-IMNFJDCFSA-N
Chemical Structure
2D Structure
2D structure of (Ala2)-Leu-Enkephalin
CAS: 60284-47-1
CID: 13019201
Formula: C29H39N5O7
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP3-1.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass569.28494860
Monoisotopic Mass569.28494860
Topological Polar Surface Area200 Ų
Heavy Atom Count41
Formal Charge0
Complexity885
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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