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TRAP-14 amide

CAT: 1601-CCP2946-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2946-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to TRAP-14 amide
CAS Number
141923-36-6
Structure Composition
Ser-Phe-Leu-Leu-Arg-Asn-Pro-Asn-Asp-Lys-Tyr-Glu-Pro-Phe-NH2
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C81H119N21O22
Molecular Weight
1738.98
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

H-Ser-phe-leu-leu-arg-asn-pro-asn-asp-lys-tyr-glu-pro-phe-NH2
CAS Number141923-36-6
PubChem CID102602411
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Molecular FormulaC81H119N21O22
Molecular Weight1738.9
XLogP-8.1
Topological Polar Surface Area719
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count54
Heavy Atom Count124
Formal Charge0
Complexity3670
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CO)N
InChI
InChI=1S/C81H119N21O22/c1-43(2)34-54(95-72(116)55(35-44(3)4)96-74(118)56(94-68(112)49(83)42-103)37-46-18-9-6-10-19-46)71(115)91-51(21-13-31-89-81(87)88)70(114)100-60(40-64(85)106)80(124)102-33-15-23-62(102)78(122)99-58(39-63(84)105)75(119)98-59(41-66(109)110)76(120)90-50(20-11-12-30-82)69(113)97-57(38-47-24-26-48(104)27-25-47)73(117)92-52(28-29-65(107)108)79(123)101-32-14-22-61(101)77(121)93-53(67(86)111)36-45-16-7-5-8-17-45/h5-10,16-19,24-27,43-44,49-62,103-104H,11-15,20-23,28-42,82-83H2,1-4H3,(H2,84,105)(H2,85,106)(H2,86,111)(H,90,120)(H,91,115)(H,92,117)(H,93,121)(H,94,112)(H,95,116)(H,96,118)(H,97,113)(H,98,119)(H,99,122)(H,100,114)(H,107,108)(H,109,110)(H4,87,88,89)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
InChIKey
FQIRADRNACPVQT-WWSDOYNLSA-N
Chemical Structure
2D Structure
2D structure of H-Ser-phe-leu-leu-arg-asn-pro-asn-asp-lys-tyr-glu-pro-phe-NH2
CAS: 141923-36-6
CID: 102602411
Formula: C81H119N21O22
MW: 1738.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1738.9
XLogP3-8.1
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count54
Exact Mass1737.88385451
Monoisotopic Mass1737.88385451
Topological Polar Surface Area719 Ų
Heavy Atom Count124
Formal Charge0
Complexity3670
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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