PGlu-Pro-Arg-MNA monoacetate

CAT: 0931-TP1801-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TP1801-01Size:5 mg

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CAS Number

2070009-26-4

Bioactivity

PGlu-Pro-Arg-MNA monoacetate, a thrombin substrate modeled after a thrombin cleavage site in human fibrinogen, can be used for sensitive assays of antithrombin III activity.

Smiles

CC(O)=O.COc1cc(ccc1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)[N+]([O-])=O

Molecular Formula

C25H36N8O9

Molecular Weight

592.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

pGlu-Pro-Arg-MNA (monoacetate)

CAS Number	2070009-26-4
PubChem CID	92044479
IUPAC Name	acetic acid;(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(2-methoxy-4-nitroanilino)-1-oxopentan-2-yl]-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Molecular Formula	C25H36N8O9
Molecular Weight	592.6
Topological Polar Surface Area	264
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	42
Formal Charge	0
Complexity	966

SMILES

CC(=O)O.COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3

InChI

InChI=1S/C23H32N8O7.C2H4O2/c1-38-18-12-13(31(36)37)6-7-14(18)28-20(33)15(4-2-10-26-23(24)25)29-21(34)17-5-3-11-30(17)22(35)16-8-9-19(32)27-16;1-2(3)4/h6-7,12,15-17H,2-5,8-11H2,1H3,(H,27,32)(H,28,33)(H,29,34)(H4,24,25,26);1H3,(H,3,4)/t15-,16-,17-;/m0./s1

InChIKey

NPFQYEIMISHQDL-FRKSIBALSA-N

Chemical Structure

2D Structure

CAS: 2070009-26-4

CID: 92044479

Formula: C25H36N8O9

MW: 592.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	592.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	592.26052476
Monoisotopic Mass	592.26052476
Topological Polar Surface Area	264 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	966
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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PGlu-Pro-Arg-MNA monoacetate

Chemical Information

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