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132418-87-2 | L-Glutamic acid, N-[1-[N-(N-L-leucylglycyl)-L-isoleucyl]-L-prolyl]- (9CI)
CAS No: 132418-87-2 Catalog No: AG0010OK MDL No:
Product Description
Catalog Number:
AG0010OK
Chemical Name:
L-Glutamic acid, N-[1-[N-(N-L-leucylglycyl)-L-isoleucyl]-L-prolyl]- (9CI)
CAS Number:
132418-87-2
Molecular Formula:
C24H41N5O8
Molecular Weight:
527.6110
IUPAC Name:
2-[[1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
InChI:
InChI=1S/C24H41N5O8/c1-5-14(4)20(28-18(30)12-26-21(33)15(25)11-13(2)3)23(35)29-10-6-7-17(29)22(34)27-16(24(36)37)8-9-19(31)32/h13-17,20H,5-12,25H2,1-4H3,(H,26,33)(H,27,34)(H,28,30)(H,31,32)(H,36,37)
InChI Key:
KYLZHZZCIBEKGS-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)N)C
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.296g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
527.619g/mol
Monoisotopic Mass:
527.296g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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