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Egf (a) analogue-13C4

CAT: 1596-AR-E09440-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E09440-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1118767-16-0
Synonyms
(S) -22- (Tert-butoxycarbonyl) -43,43-dimethyl-10,19,24,41-tetraoxo-3,6,12,15,42-pentaoxa-9,18,23-triazatetratetracontanoic acid
Molecular Formula
13C4 C39H79N3O13
Molecular Weight
850.08
API Name
Egf (a) analogue

Chemical Information

Tbuo-ste-glu(aeea-aeea-OH)-otbu
CAS Number1118767-16-0
PubChem CID87275422
IUPAC Name2-[2-[2-[[2-[2-[2-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
Molecular FormulaC43H79N3O13
Molecular Weight846.1
XLogP6.4
Topological Polar Surface Area214
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count42
Heavy Atom Count59
Formal Charge0
Complexity1150
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C43H79N3O13/c1-42(2,3)58-40(52)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-37(48)46-35(41(53)59-43(4,5)6)23-24-36(47)44-25-27-54-29-31-56-33-38(49)45-26-28-55-30-32-57-34-39(50)51/h35H,7-34H2,1-6H3,(H,44,47)(H,45,49)(H,46,48)(H,50,51)/t35-/m0/s1
InChIKey
YZUXNRZPWYRMGH-DHUJRADRSA-N
Chemical Structure
2D Structure
2D structure of Tbuo-ste-glu(aeea-aeea-OH)-otbu
CAS: 1118767-16-0
CID: 87275422
Formula: C43H79N3O13
MW: 846.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight846.1
XLogP36.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count42
Exact Mass845.56128958
Monoisotopic Mass845.56128958
Topological Polar Surface Area214 Ų
Heavy Atom Count59
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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