loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X

Technical details about Fibrinogen, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. Also known as: 89105-94-2, Chembl409436, Fibrinogen-binding inhibitor peptide, Dtxsid10433062, Hishisleuglyglyalalysglnalaglyaspval, Bdbm50034686
Molecular Formula
C50H80N18O16
Molecular Weight
1189.3  g/mol
InChI Key
STSKWZSBFZRSGP-GYDGUXFESA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid
2.1.2 InChI
InChI=1S/C50H80N18O16/c1-24(2)13-33(67-48(81)34(15-29-18-55-23-60-29)66-44(77)30(52)14-28-17-54-22-59-28)45(78)58-19-37(70)56-20-38(71)61-27(6)43(76)64-31(9-7-8-12-51)47(80)65-32(10-11-36(53)69)46(79)62-26(5)42(75)57-21-39(72)63-35(16-40(73)74)49(82)68-41(25(3)4)50(83)84/h17-18,22-27,30-35,41H,7-16,19-21,51-52H2,1-6H3,(H2,53,69)(H,54,59)(H,55,60)(H,56,70)(H,57,75)(H,58,78)(H,61,71)(H,62,79)(H,63,72)(H,64,76)(H,65,80)(H,66,77)(H,67,81)(H,68,82)(H,73,74)(H,83,84)/t26-,27-,30-,31-,32-,33-,34-,35-,41-/m0/s1
2.1.3 InChI Key
STSKWZSBFZRSGP-GYDGUXFESA-N
2.1.4 Canonical SMILES
CC(C)CC(C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)N
2.1.5 Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CN=CN2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 89105-94-2

2. Chembl409436

3. Fibrinogen-binding Inhibitor Peptide

4. Dtxsid10433062

5. Hishisleuglyglyalalysglnalaglyaspval

6. Bdbm50034686

7. Mfcd00167528

8. Ncgc00167215-01

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 1189.3 g/mol
Molecular Formula C50H80N18O16
XLogP3-9.7
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count20
Rotatable Bond Count39
Exact Mass1188.59996854 g/mol
Monoisotopic Mass1188.59996854 g/mol
Topological Polar Surface Area547 Ų
Heavy Atom Count84
Formal Charge0
Complexity2310
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Post Enquiry
POST ENQUIRY