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183486-00-2 | L-Alanine, L-alanylglycyl-L-alanyl-L-alanyl-L-alanyl-L-alanylglycyl-
CAS No: 183486-00-2 Catalog No: AG0027M3 MDL No:
Product Description
Catalog Number:
AG0027M3
Chemical Name:
L-Alanine, L-alanylglycyl-L-alanyl-L-alanyl-L-alanyl-L-alanylglycyl-
CAS Number:
183486-00-2
Molecular Formula:
C22H38N8O9
Molecular Weight:
558.5853
IUPAC Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C22H38N8O9/c1-9(23)17(33)24-7-15(31)26-11(3)19(35)29-13(5)21(37)30-12(4)20(36)28-10(2)18(34)25-8-16(32)27-14(6)22(38)39/h9-14H,7-8,23H2,1-6H3,(H,24,33)(H,25,34)(H,26,31)(H,27,32)(H,28,36)(H,29,35)(H,30,37)(H,38,39)/t9-,10-,11-,12-,13-,14-/m0/s1
InChI Key:
QGYDKUQNWPOQOD-LHEWDLALSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)C)C)C)C)C)CNC(=O)[C@@H](N)C
Properties
Complexity:
958
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
558.276g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
558.593g/mol
Monoisotopic Mass:
558.276g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
267A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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