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246018-81-5 | L-Glutamine, L-prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl- (9CI)
CAS No: 246018-81-5 Catalog No: AG002OPD MDL No:
Product Description
Catalog Number:
AG002OPD
Chemical Name:
L-Glutamine, L-prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl- (9CI)
CAS Number:
246018-81-5
Molecular Formula:
C30H51N9O10
Molecular Weight:
697.7802
IUPAC Name:
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C30H51N9O10/c1-16(24(42)37-20(30(48)49)10-11-23(32)41)34-27(45)21(15-40)38-28(46)22-9-6-14-39(22)29(47)17(2)35-26(44)19(7-3-4-12-31)36-25(43)18-8-5-13-33-18/h16-22,33,40H,3-15,31H2,1-2H3,(H2,32,41)(H,34,45)(H,35,44)(H,36,43)(H,37,42)(H,38,46)(H,48,49)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
InChI Key:
VLCUUBYLMRWFIM-CPDXTSBQSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)C)CO)C)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
697.376g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
697.791g/mol
Monoisotopic Mass:
697.376g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
305A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6
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