CAS 125678-68-4 | L-Arginine, N2-(1-oxotetradecyl)-L-lysyl-L-arginyl-L-threonyl-L-leucyl- | CAS Number 125678-68-4

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125678-68-4 | L-Arginine, N2-(1-oxotetradecyl)-L-lysyl-L-arginyl-L-threonyl-L-leucyl-

CAS No: 125678-68-4 Catalog No: AG000OBT MDL No:

Product Description

Catalog Number:

AG000OBT

Chemical Name:

L-Arginine, N2-(1-oxotetradecyl)-L-lysyl-L-arginyl-L-threonyl-L-leucyl-

CAS Number:

125678-68-4

Molecular Formula:

C42H82N12O8

Molecular Weight:

883.1761

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-(tetradecanoylamino)hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

InChI:

InChI=1S/C42H82N12O8/c1-5-6-7-8-9-10-11-12-13-14-15-23-34(56)50-30(20-16-17-24-43)36(57)51-31(21-18-25-48-41(44)45)37(58)54-35(29(4)55)39(60)53-33(27-28(2)3)38(59)52-32(40(61)62)22-19-26-49-42(46)47/h28-33,35,55H,5-27,43H2,1-4H3,(H,50,56)(H,51,57)(H,52,59)(H,53,60)(H,54,58)(H,61,62)(H4,44,45,48)(H4,46,47,49)/t29-,30+,31+,32+,33+,35+/m1/s1

InChI Key:

UCADRBIEWWELGN-PGMVXXSLSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)[C@H](O)C)CCCNC(=N)N)NC(=O)CCCCCCCCCCCCC

Properties

Complexity:

1370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

882.638g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

883.194g/mol

Monoisotopic Mass:

882.638g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

358A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Inhibition of IL-2 receptor induction and IL-2 production in the human leukemic cell line Jurkat by a novel peptide inhibitor of protein kinase C.	Cellular immunology 19901101