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138306-98-6 | L-Tyrosine, N-[N-[N-(N-L-threonyl-L-methionyl)-L-seryl]-L-seryl]- (9CI)
CAS No: 138306-98-6 Catalog No: AG0018HM MDL No:
Product Description
Catalog Number:
AG0018HM
Chemical Name:
L-Tyrosine, N-[N-[N-(N-L-threonyl-L-methionyl)-L-seryl]-L-seryl]- (9CI)
CAS Number:
138306-98-6
Molecular Formula:
C24H37N5O10S
Molecular Weight:
587.6431
IUPAC Name:
2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C24H37N5O10S/c1-12(32)19(25)23(37)26-15(7-8-40-2)20(34)28-18(11-31)22(36)29-17(10-30)21(35)27-16(24(38)39)9-13-3-5-14(33)6-4-13/h3-6,12,15-19,30-33H,7-11,25H2,1-2H3,(H,26,37)(H,27,35)(H,28,34)(H,29,36)(H,38,39)
InChI Key:
IFQPYKYQFTYZOV-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CO)CO)NC(=O)[C@H]([C@H](O)C)N
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
587.226g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
587.645g/mol
Monoisotopic Mass:
587.226g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
286A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.5
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