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820962-82-1 | L-Alanine, glycylglycyl-L-alanylglycylglycyl-L-alanylglycylglycyl-
CAS No: 820962-82-1 Catalog No: AG004X1W MDL No:
Product Description
Catalog Number:
AG004X1W
Chemical Name:
L-Alanine, glycylglycyl-L-alanylglycylglycyl-L-alanylglycylglycyl-
CAS Number:
820962-82-1
Molecular Formula:
C21H35N9O10
Molecular Weight:
573.5569
IUPAC Name:
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C21H35N9O10/c1-10(28-16(34)7-23-13(31)4-22)19(37)26-5-14(32)24-8-17(35)29-11(2)20(38)27-6-15(33)25-9-18(36)30-12(3)21(39)40/h10-12H,4-9,22H2,1-3H3,(H,23,31)(H,24,32)(H,25,33)(H,26,37)(H,27,38)(H,28,34)(H,29,35)(H,30,36)(H,39,40)/t10-,11-,12-/m0/s1
InChI Key:
FNBNMASSKIBGFX-SRVKXCTJSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C)C)C
Properties
Complexity:
988
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
573.251g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
573.564g/mol
Monoisotopic Mass:
573.251g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
296A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.4
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