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Thioredoxin reductase peptide

CAT: 0931-TP1604-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1604-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
950890-23-0
Bioactivity
Thioredoxin reductase peptide, corresponding to residues 53-67 in thioredoxin reductase (TrxR), is used in thioredoxin reductase research. Mammalian thioredoxin reductase (TR) catalyzes the reduction of the redox-active disulfide bond of thioredoxin (Trx) and is structurally and mechanistically similar to glutathione reductase, except for a C-terminal 16-amino acid extension containing a rare vicinal selenylsulfide bond.
Smiles
C([C@@H](C(NCC(N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(=O)N1[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CCC1)[C@H](CC)C)=O)CS)=O)=O)[C@H](C)C)=O)CC(N)=O)=O)C(C)C)=O)CS)=O)[C@@H](C)O)=O)=O)=O)CC(C)C)=O)=O)N)C=2C=3C(NC2)=CC=CC3
Molecular Formula
C66H106N18O18S2
Molecular Weight
1503.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Trp-Gly-Leu-Gly-Gly-Thr-Cys-Val-Asn-Val-Gly-Cys-Ile-Pro-Lys-OH
CAS Number950890-23-0
PubChem CID171666672
IUPAC Name(2S)-6-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
Molecular FormulaC66H106N18O18S2
Molecular Weight1503.8
XLogP-4.1
Topological Polar Surface Area569
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count22
Rotatable Bond Count45
Heavy Atom Count104
Formal Charge0
Complexity2990
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
InChI
InChI=1S/C66H106N18O18S2/c1-10-35(8)54(65(100)84-21-15-19-46(84)61(96)77-41(66(101)102)18-13-14-20-67)83-59(94)44(30-103)76-50(89)29-74-62(97)52(33(4)5)81-58(93)43(24-47(69)86)78-63(98)53(34(6)7)82-60(95)45(31-104)79-64(99)55(36(9)85)80-51(90)27-71-48(87)26-73-57(92)42(22-32(2)3)75-49(88)28-72-56(91)39(68)23-37-25-70-40-17-12-11-16-38(37)40/h11-12,16-17,25,32-36,39,41-46,52-55,70,85,103-104H,10,13-15,18-24,26-31,67-68H2,1-9H3,(H2,69,86)(H,71,87)(H,72,91)(H,73,92)(H,74,97)(H,75,88)(H,76,89)(H,77,96)(H,78,98)(H,79,99)(H,80,90)(H,81,93)(H,82,95)(H,83,94)(H,101,102)/t35-,36+,39-,41-,42-,43-,44-,45-,46-,52-,53-,54-,55-/m0/s1
InChIKey
HHMNTCMDCRPYNA-YGIDDDQISA-N
Chemical Structure
2D Structure
2D structure of H-Trp-Gly-Leu-Gly-Gly-Thr-Cys-Val-Asn-Val-Gly-Cys-Ile-Pro-Lys-OH
CAS: 950890-23-0
CID: 171666672
Formula: C66H106N18O18S2
MW: 1503.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1503.8
XLogP3-4.1
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count22
Rotatable Bond Count45
Exact Mass1502.73739095
Monoisotopic Mass1502.73739095
Topological Polar Surface Area569 Ų
Heavy Atom Count104
Formal Charge0
Complexity2990
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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