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Z-VRPR-FMK

CAT: 0862-GL3755-500ugSize: 500 µgDry Ice: NoHazardous: No
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CAT#:0862-GL3755-500ugSize:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1381885-28-4
Purity
94.00%
Molecular Formula
C31H49FN10O6 · C2HF3O2
Molecular Weight
790.8
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Cbz-DL-Val-DL-Arg-DL-Pro-DL-Arg-CH2F.TFA
CAS Number1381885-28-4
PubChem CID132274662
IUPAC Namebenzyl N-[1-[[5-(diaminomethylideneamino)-1-[2-[[6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;2,2,2-trifluoroacetic acid
Molecular FormulaC33H50F4N10O8
Molecular Weight790.8
Topological Polar Surface Area300
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Heavy Atom Count55
Formal Charge0
Complexity1220
SMILES
CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)CF)NC(=O)OCC2=CC=CC=C2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C31H49FN10O6.C2HF3O2/c1-19(2)25(41-31(47)48-18-20-9-4-3-5-10-20)27(45)40-22(12-7-15-38-30(35)36)28(46)42-16-8-13-23(42)26(44)39-21(24(43)17-32)11-6-14-37-29(33)34;3-2(4,5)1(6)7/h3-5,9-10,19,21-23,25H,6-8,11-18H2,1-2H3,(H,39,44)(H,40,45)(H,41,47)(H4,33,34,37)(H4,35,36,38);(H,6,7)
InChIKey
WIPHXOQUHDJLCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cbz-DL-Val-DL-Arg-DL-Pro-DL-Arg-CH2F.TFA
CAS: 1381885-28-4
CID: 132274662
Formula: C33H50F4N10O8
MW: 790.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight790.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Exact Mass790.37492124
Monoisotopic Mass790.37492124
Topological Polar Surface Area300 Ų
Heavy Atom Count55
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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