CAS 100304-60-7 | Glycinamide, L-tyrosyl-D-arginyl-L-phenylalanyl- | CAS Number 100304-60-7

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100304-60-7 | Glycinamide, L-tyrosyl-D-arginyl-L-phenylalanyl-

CAS No: 100304-60-7 Catalog No: AG0001JY MDL No:

Product Description

Catalog Number:

AG0001JY

Chemical Name:

Glycinamide, L-tyrosyl-D-arginyl-L-phenylalanyl-

CAS Number:

100304-60-7

Molecular Formula:

C26H36N8O5

Molecular Weight:

540.6146

IUPAC Name:

(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide

InChI:

InChI=1S/C26H36N8O5/c27-19(13-17-8-10-18(35)11-9-17)23(37)33-20(7-4-12-31-26(29)30)25(39)34-21(24(38)32-15-22(28)36)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-21,35H,4,7,12-15,27H2,(H2,28,36)(H,32,38)(H,33,37)(H,34,39)(H4,29,30,31)/t19-,20-,21-/m0/s1

InChI Key:

LAPUTHYQVDIYFG-ACRUOGEOSA-N

SMILES:

NC(=N)NCCC[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N

Properties

Complexity:

836

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

540.281g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

540.625g/mol

Monoisotopic Mass:

540.281g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

241A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Synthesis, biological evaluation, and automated docking of constrained analogues of the opioid peptide H-Dmt-D-Ala-Phe-Gly-NH₂ using the 4- or 5-methyl substituted 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one scaffold.	Journal of medicinal chemistry 20111013
Involvement of endogenous opioid peptides in the antinociception induced by the novel dermorphin tetrapeptide analog amidino-TAPA.	European journal of pharmacology 20070410
Differential involvement of mu 1-opioid receptors in dermorphin tetrapeptide analogues-induced antinociception.	European journal of pharmacology 20040213