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121880-94-2 | L-Methionine, L-α-aspartyl-L-tyrosyl-
CAS No: 121880-94-2 Catalog No: AG0016BU MDL No:
Product Description
Catalog Number:
AG0016BU
Chemical Name:
L-Methionine, L-α-aspartyl-L-tyrosyl-
CAS Number:
121880-94-2
Molecular Formula:
C18H25N3O7S
Molecular Weight:
427.4720
IUPAC Name:
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C18H25N3O7S/c1-29-7-6-13(18(27)28)20-17(26)14(8-10-2-4-11(22)5-3-10)21-16(25)12(19)9-15(23)24/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,26)(H,21,25)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChI Key:
WOKXEQLPBLLWHC-IHRRRGAJSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)N
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
427.141g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
427.472g/mol
Monoisotopic Mass:
427.141g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
Literature
| Title | Journal |
|---|---|
| Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor. | Nature chemical biology 20090101 |
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