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565453-40-9

565453-40-9 | N-(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)glycyl-L-proline

CAS No: 565453-40-9 Catalog No: AG0038MT MDL No:

Product Description

Catalog Number:
AG0038MT
Chemical Name:
N-(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)glycyl-L-proline
CAS Number:
565453-40-9
Molecular Formula:
C17H26N2O4
Molecular Weight:
322.3993
IUPAC Name:
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H26N2O4/c20-14(19-3-1-2-13(19)15(21)22)9-18-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,18,23H,1-10H2,(H,21,22)/t11?,12?,13-,16?,17?/m0/s1
InChI Key:
KWZNLUFQUDQQJU-FBXIQOIYSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O

Properties

Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
322.189g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
322.405g/mol
Monoisotopic Mass:
322.189g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

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