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210840-24-7

210840-24-7 | L-Alanine, L-prolyl-L-alanyl-L-prolyl-

CAS No: 210840-24-7 Catalog No: AG002KZT MDL No:

Product Description

Catalog Number:
AG002KZT
Chemical Name:
L-Alanine, L-prolyl-L-alanyl-L-prolyl-
CAS Number:
210840-24-7
Molecular Formula:
C16H26N4O5
Molecular Weight:
354.4014
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C16H26N4O5/c1-9(18-13(21)11-5-3-7-17-11)15(23)20-8-4-6-12(20)14(22)19-10(2)16(24)25/h9-12,17H,3-8H2,1-2H3,(H,18,21)(H,19,22)(H,24,25)/t9-,10-,11-,12-/m0/s1
InChI Key:
RJCNGVOLFCUYAF-BJDJZHNGSA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C)C

Properties

Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
354.19g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
354.407g/mol
Monoisotopic Mass:
354.19g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3  

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