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100896-87-5 | L-Histidine, N-D-prolyl- (9CI)
CAS No: 100896-87-5 Catalog No: AG00033U MDL No:
Product Description
Catalog Number:
AG00033U
Chemical Name:
L-Histidine, N-D-prolyl- (9CI)
CAS Number:
100896-87-5
Molecular Formula:
C11H16N4O3
Molecular Weight:
252.2697
IUPAC Name:
3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid
InChI:
InChI=1S/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)
InChI Key:
BEPSGCXDIVACBU-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@H]1CCCN1)Cc1nc[nH]c1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
252.274g/mol
Monoisotopic Mass:
252.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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