CAS 141923-41-3 | L-Argininamide, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl- | CAS Number 141923-41-3

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141923-41-3 | L-Argininamide, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-

CAS No: 141923-41-3 Catalog No: AG001HEE MDL No:

Product Description

Catalog Number:

AG001HEE

Chemical Name:

L-Argininamide, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-

CAS Number:

141923-41-3

Molecular Formula:

C30H51N9O6

Molecular Weight:

633.7826

IUPAC Name:

(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

InChI:

InChI=1S/C30H51N9O6/c1-17(2)13-22(27(43)36-21(25(32)41)11-8-12-35-30(33)34)38-28(44)23(14-18(3)4)39-29(45)24(37-26(42)20(31)16-40)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,40H,8,11-16,31H2,1-4H3,(H2,32,41)(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H4,33,34,35)/t20-,21-,22-,23-,24-/m0/s1

InChI Key:

CDBPTZOOUNAWQA-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)N)CCCNC(=N)N)CC(C)C)CC(C)C)Cc1ccccc1)N

Properties

Complexity:

996

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

633.396g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

633.795g/mol

Monoisotopic Mass:

633.396g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

270A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Modulation of capsaicin-evoked visceral pain and referred hyperalgesia by protease-activated receptors 1 and 2.	Journal of pharmacological sciences 20040301
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
Synthesis and contractile activities of cyclic thrombin receptor-derived peptide analogues with a Phe-Leu-Leu-Arg motif: importance of the Phe/Arg relative conformation and the primary amino group for activity.	Journal of medicinal chemistry 19960830
Development of a potent thrombin receptor ligand.	Journal of medicinal chemistry 19950929
'Tethered ligand' derived pentapeptide agonists of thrombin receptor: a study of side chain requirements for human platelet activation and GTPase stimulation.	International journal of peptide and protein research 19950201