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149756-74-1

149756-74-1 | Glycine, L-prolyl-L-prolyl-L-alanyl-L-seryl-L-threonyl-L-seryl-L-alanyl-L-prolyl- (9CI)

CAS No: 149756-74-1 Catalog No: AG001LZR MDL No:

Product Description

Catalog Number:
AG001LZR
Chemical Name:
Glycine, L-prolyl-L-prolyl-L-alanyl-L-seryl-L-threonyl-L-seryl-L-alanyl-L-prolyl- (9CI)
CAS Number:
149756-74-1
Molecular Formula:
C33H53N9O13
Molecular Weight:
783.8264
IUPAC Name:
2-[[1-[2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2-[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoylamino]propanoyl]amino]butanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
InChI:
InChI=1S/C33H53N9O13/c1-16(36-30(52)23-9-6-12-42(23)33(55)19-7-4-10-34-19)26(48)38-21(15-44)28(50)40-25(18(3)45)31(53)39-20(14-43)27(49)37-17(2)32(54)41-11-5-8-22(41)29(51)35-13-24(46)47/h16-23,25,34,43-45H,4-15H2,1-3H3,(H,35,51)(H,36,52)(H,37,49)(H,38,48)(H,39,53)(H,40,50)(H,46,47)
InChI Key:
OZHAKRLGHCGPCC-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C)CO)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C

Properties

Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
783.376g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
783.837g/mol
Monoisotopic Mass:
783.376g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
325A^2
Undefined Atom Stereocenter Count:
9  
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9  

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