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SR 42128

CAT: 0931-T34704Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34704Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98092-14-9
Target
RAAS
Related Pathways
Endocrinology/Hormones
Bioactivity
SR 42128 is arginine salt.
Smiles
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O
Molecular Formula
C39H65N5O9
Molecular Weight
747.975
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SR 42128

SR 42128A is arginine salt

CAS Number98092-14-9
PubChem CID5487043
IUPAC Name(3S)-4-[[(2S)-1-[[(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl]-[(2S)-2-[[(2S)-2-(3-methylbutanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-6-methylheptanoic acid
Molecular FormulaC39H65N5O9
Molecular Weight748.0
XLogP1.5
Topological Polar Surface Area228
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Heavy Atom Count53
Formal Charge0
Complexity1170
SMILES
CCCC[C@@H](C(=O)N(C(=O)C[C@@H]([C@H](CC(C)C)N)O)C(=O)[C@H](C)NC(CC(C)C)[C@H](CC(=O)O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC(C)C
InChI
InChI=1S/C39H65N5O9/c1-9-10-16-29(43-37(51)31(42-34(47)19-25(6)7)20-27-14-12-11-13-15-27)39(53)44(35(48)21-32(45)28(40)17-23(2)3)38(52)26(8)41-30(18-24(4)5)33(46)22-36(49)50/h11-15,23-26,28-33,41,45-46H,9-10,16-22,40H2,1-8H3,(H,42,47)(H,43,51)(H,49,50)/t26-,28-,29-,30?,31-,32-,33-/m0/s1
InChIKey
WGCDEPYQVHYQLC-OTCJAJBWSA-N
Chemical Structure
2D Structure
2D structure of SR 42128
CAS: 98092-14-9
CID: 5487043
Formula: C39H65N5O9
MW: 748.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.0
XLogP31.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Exact Mass747.47822867
Monoisotopic Mass747.47822867
Topological Polar Surface Area228 Ų
Heavy Atom Count53
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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