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Ac-DEVD-AFC

CAT: 0013-GTR19155579-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155579-01Size:200 mg
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Description
Ac-DEVD-AFC is a fluorogenic substrate.
CAS Number
201608-14-2
Purity
>98% (HPLC)
Solubility
DMSO: 40 mg/mL (54.82 mM) ; H2O: insoluble
Smiles
O=C (O) C[C@@H] (C (N) =O) N (C ([C@H] (C (C) C) NC ([C@H] (CCC (O) =O) NC ([C@H] (CC (O) =O) NC (C) =O) =O) =O) =O) C1=CC=C (C (O2) =C1) C (C (F) (F) F) =CC2=O
Molecular Formula
C30H34F3N5O13
Molecular Weight
729.61
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ac-Asp-Glu-Val-Asp-AFC
CAS Number201608-14-2
PubChem CID644234
IUPAC Name(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC30H34F3N5O13
Molecular Weight729.6
XLogP-0.8
Topological Polar Surface Area284
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count17
Heavy Atom Count51
Formal Charge0
Complexity1430
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChI
InChI=1S/C30H34F3N5O13/c1-12(2)25(38-26(47)17(6-7-21(40)41)36-28(49)18(10-22(42)43)34-13(3)39)29(50)37-19(11-23(44)45)27(48)35-14-4-5-15-16(30(31,32)33)9-24(46)51-20(15)8-14/h4-5,8-9,12,17-19,25H,6-7,10-11H2,1-3H3,(H,34,39)(H,35,48)(H,36,49)(H,37,50)(H,38,47)(H,40,41)(H,42,43)(H,44,45)/t17-,18-,19-,25-/m0/s1
InChIKey
GZDRODOYEFEHGG-NUDCOPPTSA-N
Chemical Structure
2D Structure
2D structure of Ac-Asp-Glu-Val-Asp-AFC
CAS: 201608-14-2
CID: 644234
Formula: C30H34F3N5O13
MW: 729.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight729.6
XLogP3-0.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count17
Exact Mass729.21052064
Monoisotopic Mass729.21052064
Topological Polar Surface Area284 Ų
Heavy Atom Count51
Formal Charge0
Complexity1430
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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