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Dalargin

CAT: 0607-BA5653-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5653-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81733-79-1
Form
A solid
Molecular Formula
C35H51N9O8
Molecular Weight
725.83
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C.

Chemical Information

Dalargin

RN refers to (L-Arg-L-Tyr-D-Ala-L-Phe-L-Leu)-isomer

CAS Number81733-79-1
PubChem CID6917894
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC35H51N9O8
Molecular Weight725.8
XLogP-2.5
Topological Polar Surface Area293
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count52
Formal Charge0
Complexity1210
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)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C35H51N9O8/c1-20(2)16-27(32(49)43-26(34(51)52)10-7-15-39-35(37)38)44-33(50)28(18-22-8-5-4-6-9-22)42-29(46)19-40-30(47)21(3)41-31(48)25(36)17-23-11-13-24(45)14-12-23/h4-6,8-9,11-14,20-21,25-28,45H,7,10,15-19,36H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)(H,43,49)(H,44,50)(H,51,52)(H4,37,38,39)/t21-,25+,26+,27+,28+/m1/s1
InChIKey
GDPHPXYFLPDZGH-XBTMSFKCSA-N
Chemical Structure
2D Structure
2D structure of Dalargin
CAS: 81733-79-1
CID: 6917894
Formula: C35H51N9O8
MW: 725.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight725.8
XLogP3-2.5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass725.38605962
Monoisotopic Mass725.38605962
Topological Polar Surface Area293 Ų
Heavy Atom Count52
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19031518-01Dalargin
GTR18899263-01Dalargin peptide
AR-D06277-01Dalargin Ditrifluoroacetate
E3220-20PEnkephalin-Arg [D-Ala2]-Leu (Dalargin)

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