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131400-71-0 | L-Serine, N-(N-L-lysyl-L-tyrosyl)-, diacetate (salt) (9CI)
CAS No: 131400-71-0 Catalog No: AG000W4J MDL No:
Product Description
Catalog Number:
AG000W4J
Chemical Name:
L-Serine, N-(N-L-lysyl-L-tyrosyl)-, diacetate (salt) (9CI)
CAS Number:
131400-71-0
IUPAC Name:
acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C18H28N4O6.2C2H4O2/c19-8-2-1-3-13(20)16(25)21-14(9-11-4-6-12(24)7-5-11)17(26)22-15(10-23)18(27)28;2*1-2(3)4/h4-7,13-15,23-24H,1-3,8-10,19-20H2,(H,21,25)(H,22,26)(H,27,28);2*1H3,(H,3,4)/t13-,14-,15-;;/m0../s1
InChI Key:
GGHXUBMAQXMCGT-VZXRKJOKSA-N
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
516.243g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
516.548g/mol
Monoisotopic Mass:
516.243g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
263A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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