CAS 131473-70-6 | L-Phenylalanine, glycyl-L-prolylglycyl-L-arginyl-L-alanyl- | CAS Number 131473-70-6

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131473-70-6 | L-Phenylalanine, glycyl-L-prolylglycyl-L-arginyl-L-alanyl-

CAS No: 131473-70-6 Catalog No: AG000W9F MDL No:

Product Description

Catalog Number:

AG000W9F

Chemical Name:

L-Phenylalanine, glycyl-L-prolylglycyl-L-arginyl-L-alanyl-

CAS Number:

131473-70-6

Molecular Formula:

C27H41N9O7

Molecular Weight:

603.6705

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid

InChI:

InChI=1S/C27H41N9O7/c1-16(23(39)35-19(26(42)43)13-17-7-3-2-4-8-17)33-24(40)18(9-5-11-31-27(29)30)34-21(37)15-32-25(41)20-10-6-12-36(20)22(38)14-28/h2-4,7-8,16,18-20H,5-6,9-15,28H2,1H3,(H,32,41)(H,33,40)(H,34,37)(H,35,39)(H,42,43)(H4,29,30,31)/t16-,18-,19-,20-/m0/s1

InChI Key:

BRENMGSWNOZDLU-LEAZDLGRSA-N

SMILES:

NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CCCNC(=N)N

Properties

Complexity:

1030

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

603.313g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

603.681g/mol

Monoisotopic Mass:

603.313g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

264A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.4

Literature

Title	Journal
Global and local structural properties of the principal neutralizing determinant of the HIV-1 envelope protein gp120.	Journal of biomolecular structure & dynamics 19990201
NMR study of the peptide present in the principal neutralizing determinant (PND) of HIV-1 envelope glycoprotein gp120.	Journal of biochemical and biophysical methods 19970327
Synthetic multimeric peptides derived from the principal neutralization domain (V3 loop) of human immunodeficiency virus type 1 (HIV-1) gp120 bind to galactosylceramide and block HIV-1 infection in a human CD4-negative mucosal epithelial cell line.	Journal of virology 19950101
Multibranched V3 peptides inhibit human immunodeficiency virus infection in human lymphocytes and macrophages.	Journal of virology 19940901
Crystal structure of the principal neutralization site of HIV-1.	Science (New York, N.Y.) 19940401