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Pro-Phe-Arg-AMC acetate

CAT: 0931-TP2824-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2824-01Size:1 mg
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CAS Number
2237216-30-5
Target
Others
Related Pathways
Others
Purity
0.996
Bioactivity
Pro-Phe-Arg-AMC acetate is a high-affinity substrate for peptides and hK2 (Human glandular kallikrein 2), suitable for enzyme activity assays.
Smiles
C(C)(O)=O.CC=1C=2C(=CC(NC([C@@H](NC([C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4)=O)CCCNC(=N)N)=O)=CC2)OC(=O)C1
Molecular Formula
C32H41N7O7
Molecular Weight
635.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pro-Phe-Arg-AMC
CAS Number2237216-30-5
PubChem CID21125192
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC30H37N7O5
Molecular Weight575.7
XLogP1
Topological Polar Surface Area190
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4
InChI
InChI=1S/C30H37N7O5/c1-18-15-26(38)42-25-17-20(11-12-21(18)25)35-28(40)23(10-6-14-34-30(31)32)36-29(41)24(16-19-7-3-2-4-8-19)37-27(39)22-9-5-13-33-22/h2-4,7-8,11-12,15,17,22-24,33H,5-6,9-10,13-14,16H2,1H3,(H,35,40)(H,36,41)(H,37,39)(H4,31,32,34)/t22-,23-,24-/m0/s1
InChIKey
LATXIQYQVGEJJC-HJOGWXRNSA-N
Chemical Structure
2D Structure
2D structure of Pro-Phe-Arg-AMC
CAS: 2237216-30-5
CID: 21125192
Formula: C30H37N7O5
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight575.7
XLogP31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass575.28561731
Monoisotopic Mass575.28561731
Topological Polar Surface Area190 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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