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145963-49-1 | L-Cysteine, L-phenylalanyl-L-leucyl-L-prolyl-L-valyl-L-leucyl-L-alanylglycyl-L-isoleucyl-L-alanyl-L-alanyl-L-lysyl-L-valyl-L-valyl-L-prolyl-L-alanyl-L-leucyl-L-phenylalanyl-L-cysteinyl-L-lysyl-L-isoleucyl-L-threonyl-L-lysyl-L-lysyl-, cyclic (18→24)-disulfide
CAS No: 145963-49-1 Catalog No: AG001DJR MDL No:
Product Description
Catalog Number:
AG001DJR
Chemical Name:
L-Cysteine, L-phenylalanyl-L-leucyl-L-prolyl-L-valyl-L-leucyl-L-alanylglycyl-L-isoleucyl-L-alanyl-L-alanyl-L-lysyl-L-valyl-L-valyl-L-prolyl-L-alanyl-L-leucyl-L-phenylalanyl-L-cysteinyl-L-lysyl-L-isoleucyl-L-threonyl-L-lysyl-L-lysyl-, cyclic (18→24)-disulfide
CAS Number:
145963-49-1
IUPAC Name:
(4R,7S,10S,13S,16S,19S,22R)-22-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-7,10,19-tris(4-aminobutyl)-16-[(2S)-butan-2-yl]-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxylic acid
InChI:
InChI=1S/C121H202N28O26S2/c1-22-70(15)96(142-92(151)61-127-99(152)72(17)129-108(161)84(56-64(3)4)138-114(167)93(67(9)10)144-113(166)91-49-38-54-148(91)119(172)87(58-66(7)8)139-103(156)79(126)59-77-40-26-24-27-41-77)116(169)131-73(18)100(153)128-74(19)101(154)132-82(46-32-36-52-124)106(159)143-94(68(11)12)115(168)145-95(69(13)14)120(173)149-55-39-48-90(149)112(165)130-75(20)102(155)136-85(57-65(5)6)109(162)137-86(60-78-42-28-25-29-43-78)110(163)140-88-62-176-177-63-89(121(174)175)141-105(158)80(44-30-34-50-122)133-104(157)81(45-31-35-51-123)135-118(171)98(76(21)150)147-117(170)97(71(16)23-2)146-107(160)83(134-111(88)164)47-33-37-53-125/h24-29,40-43,64-76,79-91,93-98,150H,22-23,30-39,44-63,122-126H2,1-21H3,(H,127,152)(H,128,153)(H,129,161)(H,130,165)(H,131,169)(H,132,154)(H,133,157)(H,134,164)(H,135,171)(H,136,155)(H,137,162)(H,138,167)(H,139,156)(H,140,163)(H,141,158)(H,142,151)(H,143,159)(H,144,166)(H,145,168)(H,146,160)(H,147,170)(H,174,175)/t70-,71-,72-,73-,74-,75-,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,93-,94-,95-,96-,97-,98-/m0/s1
InChI Key:
AMGDYQVEJJSZSQ-IMDMOUBVSA-N
Properties
Complexity:
5370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
26
Defined Bond Stereocenter Count:
0
Exact Mass:
2528.482g/mol
Formal Charge:
0
Heavy Atom Count:
177
Hydrogen Bond Acceptor Count:
33
Hydrogen Bond Donor Count:
28
Isotope Atom Count:
0
Molecular Weight:
2529.237g/mol
Monoisotopic Mass:
2527.479g/mol
Rotatable Bond Count:
67
Topological Polar Surface Area:
890A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis, conformational analysis and biological properties of a dicarba derivative of the antimicrobial peptide, brevinin-1BYa. | European biophysics journal : EBJ 20110401 |
| Peptidomic analysis of skin secretions from the bullfrog Lithobates catesbeianus (Ranidae) identifies multiple peptides with potent insulin-releasing activity. | Peptides 20110201 |
| Matrix-assisted laser desorption/ionization-post source decay fragmentation of cystine- containing amphibian peptides with novel cysteine tags. | European journal of mass spectrometry (Chichester, England) 20110101 |
| Antimicrobial peptides from diverse families isolated from the skin of the Asian frog, Rana grahami. | Peptides 20060901 |
| Brevinin-1BYa: a naturally occurring peptide from frog skin with broad-spectrum antibacterial and antifungal properties. | International journal of antimicrobial agents 20060601 |
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