Magainin-b2

Structural Information

Molecular Formula

C₁₁₂H₁₇₇N₂₉O₂₈S

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN

InChI

InChI=1S/C112H177N29O28S/c1-12-66(8)94(140-87(144)54-117)110(166)122-59-91(148)128-75(38-24-28-45-115)101(157)136-83(52-71-34-20-15-21-35-71)107(163)134-80(49-64(4)5)105(161)137-84(53-72-55-118-62-123-72)108(164)138-85(60-142)109(165)124-67(9)95(151)119-56-88(145)127-74(37-23-27-44-114)100(156)135-81(50-69-30-16-13-17-31-69)98(154)121-57-89(146)126-73(36-22-26-43-113)99(155)125-68(10)96(152)132-82(51-70-32-18-14-19-33-70)106(162)133-79(48-63(2)3)97(153)120-58-90(147)129-77(40-41-92(149)150)104(160)141-93(65(6)7)111(167)131-78(42-47-170-11)103(159)130-76(39-25-29-46-116)102(158)139-86(61-143)112(168)169/h13-21,30-35,55,62-68,73-86,93-94,142-143H,12,22-29,36-54,56-61,113-117H2,1-11H3,(H,118,123)(H,119,151)(H,120,153)(H,121,154)(H,122,166)(H,124,165)(H,125,155)(H,126,146)(H,127,145)(H,128,148)(H,129,147)(H,130,159)(H,131,167)(H,132,152)(H,133,162)(H,134,163)(H,135,156)(H,136,157)(H,137,161)(H,138,164)(H,139,158)(H,140,144)(H,141,160)(H,149,150)(H,168,169)/t66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-/m0/s1

InChIKey

RIFWWFNUTLDKTG-FTSJOTCQSA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71588603