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89273-26-7 | L-Alanine, N-[N-[N-[N-(N-alanyl-L-leucyl)-L-leucyl]-L-alanyl]-L-leucyl]-
CAS No: 89273-26-7 Catalog No: AG0041BM MDL No:
Product Description
Catalog Number:
AG0041BM
Chemical Name:
L-Alanine, N-[N-[N-[N-(N-alanyl-L-leucyl)-L-leucyl]-L-alanyl]-L-leucyl]-
CAS Number:
89273-26-7
Molecular Formula:
C27H50N6O7
Molecular Weight:
570.7219
IUPAC Name:
2-[[2-[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]propanoic acid
InChI:
InChI=1S/C27H50N6O7/c1-13(2)10-19(25(37)30-18(9)27(39)40)32-23(35)17(8)29-24(36)20(11-14(3)4)33-26(38)21(12-15(5)6)31-22(34)16(7)28/h13-21H,10-12,28H2,1-9H3,(H,29,36)(H,30,37)(H,31,34)(H,32,35)(H,33,38)(H,39,40)
InChI Key:
XZXHPHQEQXHXRE-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CC(C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)C
Properties
Complexity:
893
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.374g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
570.732g/mol
Monoisotopic Mass:
570.374g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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