CAS 117027-34-6 | L-Threonine, L-lysyl-D-prolyl- | CAS Number 117027-34-6

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117027-34-6 | L-Threonine, L-lysyl-D-prolyl-

CAS No: 117027-34-6 Catalog No: AG000DL9 MDL No:

Product Description

Catalog Number:

AG000DL9

Chemical Name:

L-Threonine, L-lysyl-D-prolyl-

CAS Number:

117027-34-6

Molecular Formula:

C15H28N4O5

Molecular Weight:

344.4066

IUPAC Name:

(2S,3R)-2-[[(2R)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

InChI:

InChI=1S/C15H28N4O5/c1-9(20)12(15(23)24)18-13(21)11-6-4-8-19(11)14(22)10(17)5-2-3-7-16/h9-12,20H,2-8,16-17H2,1H3,(H,18,21)(H,23,24)/t9-,10+,11-,12+/m1/s1

InChI Key:

LOGFVTREOLYCPF-KXNHARMFSA-N

SMILES:

NCCCC[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)[C@H](O)C)N

UNII:

9VU41E2PRZ

Properties

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.206g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.412g/mol

Monoisotopic Mass:

344.206g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

159A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-5.1

Literature

Title	Journal
Peripheral hyperalgesic cytokines.	Advances in experimental medicine and biology 20030101
Nociceptin and dynorphin A(1-17) produce antianalgesia through independent systems in mice.	Life sciences 20020118
Podophyllotoxin lignans enhance IL-1beta but suppress TNF-alpha mRNA expression in LPS-treated monocytes.	Immunopharmacology and immunotoxicology 20010201