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H-Ala-Pro-Val-EDANS

CAT: 0926-FA110908-01Size: 2000 µgDry Ice: NoHazardous: No
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CAT#:0926-FA110908-01Size:2000 µg
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CAS Number
396077-59-1
MDL Number
MFCD00237761
Smiles
C[C@@H] (C (=O) N1CCC[C@H]1C (=O) N[C@@H] (C (C) C) C (=O) NCCNC2=CC=CC3=C2C=CC=C3S (=O) (=O) O) N
Molecular Formula
C25H35N5O6S
Molecular Weight
533.64 g/mol
Controlled
No

Chemical Information

H-Ala-Pro-Val-EDANS
CAS Number396077-59-1
PubChem CID95566055
IUPAC Name5-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]ethylamino]naphthalene-1-sulfonic acid
Molecular FormulaC25H35N5O6S
Molecular Weight533.6
XLogP-0.8
Topological Polar Surface Area179
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity923
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)N
InChI
InChI=1S/C25H35N5O6S/c1-15(2)22(29-23(31)20-10-6-14-30(20)25(33)16(3)26)24(32)28-13-12-27-19-9-4-8-18-17(19)7-5-11-21(18)37(34,35)36/h4-5,7-9,11,15-16,20,22,27H,6,10,12-14,26H2,1-3H3,(H,28,32)(H,29,31)(H,34,35,36)/t16-,20-,22-/m0/s1
InChIKey
VSFQXERNKOZUFR-BUKVSMQUSA-N
Chemical Structure
2D Structure
2D structure of H-Ala-Pro-Val-EDANS
CAS: 396077-59-1
CID: 95566055
Formula: C25H35N5O6S
MW: 533.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight533.6
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass533.23080503
Monoisotopic Mass533.23080503
Topological Polar Surface Area179 Ų
Heavy Atom Count37
Formal Charge0
Complexity923
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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Alternative Products

CatalogName
M-2030.0001H-Ala-Pro-Val-EDANS
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RG-E141260-01Pro-Ala-Ala-Glu-Pro-Val-Pro-Leu
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H-3748.0050MeOSuc-Ala-Ala-Pro-Val-OH
L-1335.0250MeOSuc-Ala-Ala-Pro-Val-pNA
4015705.005Suc-Ala-Ala-Pro-Val-AMC
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