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MMP-1/MMP-9 Fluorogenic Substrate

CAT: 0013-GTR19154206-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154206-02Size:250 mg
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Description
Dnp-P-Cha-G-Cys (Me) -HA-K (Nma) -NH2 is a fluorogenic substrate for matrix metalloproteinase-1 (MMP-1) and MMP-9
CAS Number
150956-92-6
Field of Research
Cancer Biology; Musculoskeletal & Connective Tissue Research
Purity
>98%
Smiles
C[C@H] (NC ([C@@H] (NC ([C@@H] (NC (CNC ([C@@H] (NC ([C@@H]1CCCN1C2=C ([N+] ([O-]) =O) C=C ([N+] ([O-]) =O) C=C2) =O) CC3CCCCC3) =O) =O) CSC) =O) CC4=CN=CN4) =O) C (N[C@H] (C (N) =O) CCCCNC (C5=CC=CC=C5NC) =O) =O
Molecular Formula
C49H68N14O12S
Molecular Weight
1077.22
Notes
For research use only.

Chemical Information

MMP-1/MMP-9 Substrate, Fluorogenic
CAS Number150956-92-6
PubChem CID101226681
IUPAC Name(2S)-N-[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-[[2-(methylamino)benzoyl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide
Molecular FormulaC49H68N14O12S
Molecular Weight1077.2
XLogP4.2
Topological Polar Surface Area408
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Heavy Atom Count76
Formal Charge0
Complexity2010
SMILES
C[C@@H](C(=O)N[C@@H](CCCCNC(=O)C1=CC=CC=C1NC)C(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CSC)NC(=O)CNC(=O)[C@H](CC3CCCCC3)NC(=O)[C@@H]4CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C49H68N14O12S/c1-29(44(66)58-35(43(50)65)16-9-10-20-53-45(67)33-14-7-8-15-34(33)51-2)56-47(69)37(23-31-25-52-28-55-31)59-48(70)38(27-76-3)57-42(64)26-54-46(68)36(22-30-12-5-4-6-13-30)60-49(71)40-17-11-21-61(40)39-19-18-32(62(72)73)24-41(39)63(74)75/h7-8,14-15,18-19,24-25,28-30,35-38,40,51H,4-6,9-13,16-17,20-23,26-27H2,1-3H3,(H2,50,65)(H,52,55)(H,53,67)(H,54,68)(H,56,69)(H,57,64)(H,58,66)(H,59,70)(H,60,71)/t29-,35-,36-,37-,38-,40-/m0/s1
InChIKey
FLNOECDMJTUEJM-HAHFRGJSSA-N
Chemical Structure
2D Structure
2D structure of MMP-1/MMP-9 Substrate, Fluorogenic
CAS: 150956-92-6
CID: 101226681
Formula: C49H68N14O12S
MW: 1077.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1077.2
XLogP34.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Exact Mass1076.48618483
Monoisotopic Mass1076.48618483
Topological Polar Surface Area408 Ų
Heavy Atom Count76
Formal Charge0
Complexity2010
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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