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Ac-IEPD-AFC 50mg

CAT: 0628-A15319-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A15319-50Size:50 mg
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CAS Number
1135417-31-0

Chemical Information

Ac-IEPD-AFC
CAS Number1135417-31-0
PubChem CID25108575
IUPAC Name(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[(2S)-2-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Molecular FormulaC32H38F3N5O11
Molecular Weight725.7
XLogP0.8
Topological Polar Surface Area238
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count15
Heavy Atom Count51
Formal Charge0
Complexity1420
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C
InChI
InChI=1S/C32H38F3N5O11/c1-4-15(2)27(36-16(3)41)30(49)38-20(9-10-24(42)43)31(50)40-11-5-6-22(40)29(48)39-21(14-25(44)45)28(47)37-17-7-8-18-19(32(33,34)35)13-26(46)51-23(18)12-17/h7-8,12-13,15,20-22,27H,4-6,9-11,14H2,1-3H3,(H,36,41)(H,37,47)(H,38,49)(H,39,48)(H,42,43)(H,44,45)/t15-,20-,21-,22-,27-/m0/s1
InChIKey
HWXKKVLJPWMVLL-FGGUPADCSA-N
Chemical Structure
2D Structure
2D structure of Ac-IEPD-AFC
CAS: 1135417-31-0
CID: 25108575
Formula: C32H38F3N5O11
MW: 725.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight725.7
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count15
Exact Mass725.25199153
Monoisotopic Mass725.25199153
Topological Polar Surface Area238 Ų
Heavy Atom Count51
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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