CAS 141685-53-2 | L-Arginine, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl- | CAS Number 141685-53-2

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141685-53-2 | L-Arginine, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-

CAS No: 141685-53-2 Catalog No: AG001GVO MDL No:

Product Description

Catalog Number:

AG001GVO

Chemical Name:

L-Arginine, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-

CAS Number:

141685-53-2

Molecular Formula:

C30H50N8O7

Molecular Weight:

634.7674

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

InChI:

InChI=1S/C30H50N8O7/c1-17(2)13-22(26(41)35-21(29(44)45)11-8-12-34-30(32)33)37-27(42)23(14-18(3)4)38-28(43)24(36-25(40)20(31)16-39)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,39H,8,11-16,31H2,1-4H3,(H,35,41)(H,36,40)(H,37,42)(H,38,43)(H,44,45)(H4,32,33,34)/t20-,21-,22-,23-,24-/m0/s1

InChI Key:

LJYDIYITSYDTAY-LSBAASHUSA-N

SMILES:

OC[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)CC(C)C)Cc1ccccc1)N

Properties

Complexity:

997

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

634.38g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

634.779g/mol

Monoisotopic Mass:

634.38g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

264A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.6

Literature

Title	Journal
Design and synthesis of novel biologically active thrombin receptor non-peptide mimetics based on the pharmacophoric cluster Phe/Arg/NH2 of the Ser42-Phe-Leu-Leu-Arg46 motif sequence: platelet aggregation and relaxant activities.	Journal of medicinal chemistry 20040617
Design, synthesis, and modeling of novel cyclic thrombin receptor-derived peptide analogues of the Ser42-Phe-Leu-Leu-Arg46 motif sequence with fixed conformations of pharmacophoric groups: importance of a Phe/Arg/NH2 cluster for receptor activation and implications in the design of nonpeptide thrombin receptor mimetics.	Journal of medicinal chemistry 20010201
Conformational analysis of the thrombin receptor agonist peptides SFLLR and SFLLR-NH2 by NMR: evidence for a cyclic bioactive conformation.	Journal of protein chemistry 19970201