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149759-96-6 | L-Methionine, N-[(2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methylbutyl]-L-phenylalanyl-
CAS No: 149759-96-6 Catalog No: AG001LZP MDL No:
Product Description
Catalog Number:
AG001LZP
Chemical Name:
L-Methionine, N-[(2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methylbutyl]-L-phenylalanyl-
CAS Number:
149759-96-6
Molecular Formula:
C22H38N4O3S2
Molecular Weight:
470.6921
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C22H38N4O3S2/c1-15(2)20(24-12-17(23)14-30)13-25-19(11-16-7-5-4-6-8-16)21(27)26-18(22(28)29)9-10-31-3/h4-8,15,17-20,24-25,30H,9-14,23H2,1-3H3,(H,26,27)(H,28,29)/t17-,18+,19+,20-/m1/s1
InChI Key:
QISLMXIYRQCLIR-FUMNGEBKSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](C(C)C)NC[C@H](CS)N
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
470.239g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
470.691g/mol
Monoisotopic Mass:
470.239g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Analysis of the eukaryotic prenylome by isoprenoid affinity tagging. | Nature chemical biology 20090401 |
| Potent and selective farnesyl transferase inhibitors. | Journal of medicinal chemistry 20041230 |
| Activation of the store-operated calcium current ICRAC can be dissociated from regulated exocytosis in rat basophilic leukaemia (RBL-1) cells. | The Journal of physiology 20031201 |
| Constitutive activation of NF-kappaB in Ki-ras-transformed prostate epithelial cells. | Oncogene 20020704 |
| Time-dependent inhibition of protein farnesyltransferase by a benzodiazepine peptide mimetic. | Biochemistry 20010807 |
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