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178913-65-0 | L-Glutamine, L-valyl-L-leucyl-L-prolyl-L-valyl-L-prolyl-
CAS No: 178913-65-0 Catalog No: AG0026I3 MDL No:
Product Description
Catalog Number:
AG0026I3
Chemical Name:
L-Glutamine, L-valyl-L-leucyl-L-prolyl-L-valyl-L-prolyl-
CAS Number:
178913-65-0
Molecular Formula:
C31H53N7O8
Molecular Weight:
651.7946
IUPAC Name:
(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21-,22-,24-,25-/m0/s1
InChI Key:
KSIHMACFIAFKIG-BKWLFHPQSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)N)C(C)C)NC(=O)[C@H](C(C)C)N)C
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
651.396g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
651.806g/mol
Monoisotopic Mass:
651.396g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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