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124169-03-5 | D-Alaninamide, N-benzoylglycyl-L-prolyl-D-leucyl-N-hydroxy- (9CI)
CAS No: 124169-03-5 Catalog No: AG000LMG MDL No:
Product Description
Catalog Number:
AG000LMG
Chemical Name:
D-Alaninamide, N-benzoylglycyl-L-prolyl-D-leucyl-N-hydroxy- (9CI)
CAS Number:
124169-03-5
Molecular Formula:
C23H33N5O6
Molecular Weight:
475.5380
IUPAC Name:
(2S)-1-(2-benzamidoacetyl)-N-[(2R)-1-[[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C23H33N5O6/c1-14(2)12-17(22(32)25-15(3)20(30)27-34)26-23(33)18-10-7-11-28(18)19(29)13-24-21(31)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18,34H,7,10-13H2,1-3H3,(H,24,31)(H,25,32)(H,26,33)(H,27,30)/t15-,17-,18+/m1/s1
InChI Key:
WITWMRHGYPBQJJ-NXHRZFHOSA-N
SMILES:
ONC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1)CC(C)C)C
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
475.243g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
475.546g/mol
Monoisotopic Mass:
475.243g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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