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817620-20-5 | D-Alanine, N-benzoylglycyl-L-prolyl-D-leucyl-
CAS No: 817620-20-5 Catalog No: AG005I2I MDL No:
Product Description
Catalog Number:
AG005I2I
Chemical Name:
D-Alanine, N-benzoylglycyl-L-prolyl-D-leucyl-
CAS Number:
817620-20-5
Molecular Formula:
C23H32N4O6
Molecular Weight:
460.5234
IUPAC Name:
(2R)-2-[[(2R)-2-[[(2S)-1-(2-benzamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid
InChI:
InChI=1S/C23H32N4O6/c1-14(2)12-17(21(30)25-15(3)23(32)33)26-22(31)18-10-7-11-27(18)19(28)13-24-20(29)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)(H,32,33)/t15-,17-,18+/m1/s1
InChI Key:
YYYVTTJACRJXSF-NXHRZFHOSA-N
SMILES:
CC(C[C@H](C(=O)N[C@@H](C(=O)O)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1)C
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
460.232g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
460.531g/mol
Monoisotopic Mass:
460.232g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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