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MeOSuc-AAPV-AMC

CAT: 1106-BML-P224-0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-P224-0005Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72252-90-5
Product Name Alternative
Neutrophil elastase substrate (fluorogenic)
Certification
RUO
Sequence
N-Methoxysuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥95% (HPLC)
Molecular Formula
C 31 H 41 N 5 O 9
Molecular Weight
627.7
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Appearance
White solid

Chemical Information

Methoxy-succinyl-alanyl-alanyl-prolyl-valine-7-amino-4-methylcoumarin
CAS Number72252-90-5
PubChem CID5492025
IUPAC Namemethyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(4-methyl-2-oxochromen-7-yl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
Molecular FormulaC31H41N5O9
Molecular Weight627.7
XLogP1.6
Topological Polar Surface Area189
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity1200
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](C(C)C)C(=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC
InChI
InChI=1S/C31H41N5O9/c1-16(2)27(34-20-9-10-21-17(3)14-26(39)45-23(21)15-20)30(42)35-29(41)22-8-7-13-36(22)31(43)19(5)33-28(40)18(4)32-24(37)11-12-25(38)44-6/h9-10,14-16,18-19,22,27,34H,7-8,11-13H2,1-6H3,(H,32,37)(H,33,40)(H,35,41,42)/t18-,19-,22-,27-/m0/s1
InChIKey
NHMQNKPYBPDCAY-NFHWZJRKSA-N
Chemical Structure
2D Structure
2D structure of Methoxy-succinyl-alanyl-alanyl-prolyl-valine-7-amino-4-methylcoumarin
CAS: 72252-90-5
CID: 5492025
Formula: C31H41N5O9
MW: 627.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight627.7
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass627.29042790
Monoisotopic Mass627.29042790
Topological Polar Surface Area189 Ų
Heavy Atom Count45
Formal Charge0
Complexity1200
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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