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Dynorphin B (1-9)

CAT: 0926-FD109602-02Size: 5000 μgDry Ice: NoHazardous: No
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CAT#:0926-FD109602-02Size:5000 μg
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CAS Number
126050-26-8
Synonyms
H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Gln-Phe-OH; H-YGGFLRRQF-OH
MDL Number
MFCD00079873
Smiles
CC (C) C[C@@H] (C (=O) N[C@@H] (CCCN=C (N) N) C (=O) N[C@@H] (CCCN=C (N) N) C (=O) N[C@@H] (CCC (=O) N) C (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) O) NC (=O) [C@H] (CC2=CC=CC=C2) NC (=O) CNC (=O) CNC (=O) [C@H] (CC3=CC=C (C=C3) O) N
Molecular Formula
C54H78N16O12
Molecular Weight
1,143.3 g/mol
Controlled
No

Chemical Information

Dynorphin B (1-9)
CAS Number126050-26-8
PubChem CID102601990
IUPAC Name(2S)-2-[[(2S)-5-amino-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-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC54H78N16O12
Molecular Weight1143.3
XLogP-3.7
Topological Polar Surface Area488
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count15
Rotatable Bond Count36
Heavy Atom Count82
Formal Charge0
Complexity2160
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C54H78N16O12/c1-31(2)25-40(69-51(80)41(27-32-11-5-3-6-12-32)65-45(74)30-63-44(73)29-64-46(75)36(55)26-34-17-19-35(71)20-18-34)50(79)67-38(16-10-24-62-54(59)60)47(76)66-37(15-9-23-61-53(57)58)48(77)68-39(21-22-43(56)72)49(78)70-42(52(81)82)28-33-13-7-4-8-14-33/h3-8,11-14,17-20,31,36-42,71H,9-10,15-16,21-30,55H2,1-2H3,(H2,56,72)(H,63,73)(H,64,75)(H,65,74)(H,66,76)(H,67,79)(H,68,77)(H,69,80)(H,70,78)(H,81,82)(H4,57,58,61)(H4,59,60,62)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKey
ODVSEQVPSWYEAR-FVMQRRFMSA-N
Chemical Structure
2D Structure
2D structure of Dynorphin B (1-9)
CAS: 126050-26-8
CID: 102601990
Formula: C54H78N16O12
MW: 1143.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1143.3
XLogP3-3.7
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count15
Rotatable Bond Count36
Exact Mass1142.59851199
Monoisotopic Mass1142.59851199
Topological Polar Surface Area488 Ų
Heavy Atom Count82
Formal Charge0
Complexity2160
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS8246424-01Dynorphin A (1-9) (Porcine)
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5-01054Dynorphin A (1-9), porcine
GTR18889947Dynorphin B (1-9) peptide
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