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Ac-Val-Arg-Pro-Arg-AMC

CAT: 0121-4048494.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4048494.0005Size:5 mg
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CAS Number
919515-51-8
Specifications
I-1965.0005
Sequence
Ac-Val-Arg-Pro-Arg-AMC
Molecular Formula
C₃₄H₅₁N₁₁O₇
Molecular Weight
725.85
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Ac-Val-Arg-Pro-Arg-AMC Trifluoroacetate
CAS Number919515-51-8
PubChem CID145707774
IUPAC Name(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC36H52F3N11O9
Molecular Weight839.9
Topological Polar Surface Area329
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count59
Formal Charge0
Complexity1490
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C34H51N11O7.C2HF3O2/c1-18(2)28(41-20(4)46)31(50)44-24(9-6-14-40-34(37)38)32(51)45-15-7-10-25(45)30(49)43-23(8-5-13-39-33(35)36)29(48)42-21-11-12-22-19(3)16-27(47)52-26(22)17-21;3-2(4,5)1(6)7/h11-12,16-18,23-25,28H,5-10,13-15H2,1-4H3,(H,41,46)(H,42,48)(H,43,49)(H,44,50)(H4,35,36,39)(H4,37,38,40);(H,6,7)/t23-,24-,25-,28-;/m0./s1
InChIKey
OPIFMWDQLNKKSM-XQVKXODCSA-N
Chemical Structure
2D Structure
2D structure of Ac-Val-Arg-Pro-Arg-AMC Trifluoroacetate
CAS: 919515-51-8
CID: 145707774
Formula: C36H52F3N11O9
MW: 839.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight839.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass839.39015676
Monoisotopic Mass839.39015676
Topological Polar Surface Area329 Ų
Heavy Atom Count59
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS5818534Boc-Arg-Val-Arg-Arg-AMC hydrochloride
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