MAGAININ 1

CAS No.
108433-99-4
CCD No.
CCD00064354
Formula
C112 H177 N29 O28 S
MolWeight
2409.87

Basic Information

Product Name: MAGAININ 1
CAS: 108433-99-4
English Synonyms: MAGAININ 1 ; GLY-ILE-GLY-LYS-PHE-LEU-HIS-SER-ALA-GLY-LYS-PHE-GLY-LYS-ALA-PHE-VAL-GLY-GLU-ILE-MET-LYS-SER ; H-GLY-ILE-GLY-LYS-PHE-LEU-HIS-SER-ALA-GLY-LYS-PHE-GLY-LYS-ALA-PHE-VAL-GLY-GLU-ILE-MET-LYS-SER-OH ; MAGAININ I ; GIGKFLHSAGKFGKAFVGEIMKS ; L-SERINE, GLYCYL-L-ISOLEUCYLGLYCYL-L-LYSYL-L-PHENYLALANYL-L-LEUCYL-L-HISTIDYL-L-SERYL-L-ALANYLGLYCYL-L-LYSYL-L-PHENYLALANYLGLYCYL-L-LYSYL-L-ALANYL-L-PHENYLALANYL-L-VALYLGLYCYL-L-ALPHA-GLUTAMYL-L-ISOLEUCYL-L-METHIONYL-L-LYSYL-
MDL Number.: MFCD00133521
H bond acceptor: 57
H bond donor: 32
Smile: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]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](Cc3ccccc3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)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/c1-12-65(7)93(139-86(144)54-117)110(166)122-59-89(147)128-75(39-25-29-46-115)100(156)135-81(51-70-33-19-15-20-34-70)105(161)133-79(49-63(3)4)104(160)136-83(53-72-55-118-62-123-72)106(162)137-84(60-142)108(164)124-67(9)95(151)119-56-87(145)127-74(38-24-28-45-114)99(155)134-80(50-69-31-17-14-18-32-69)97(153)120-57-88(146)126-73(37-23-27-44-113)98(154)125-68(10)96(152)132-82(52-71-35-21-16-22-36-71)107(163)140-92(64(5)6)109(165)121-58-90(148)129-77(41-42-91(149)150)103(159)141-94(66(8)13-2)111(167)131-78(43-48-170-11)102(158)130-76(40-26-30-47-116)101(157)138-85(61-143)112(168)169/h14-22,31-36,55,62-68,73-85,92-94,142-143H,12-13,23-30,37-54,56-61,113-117H2,1-11H3,(H,118,123)(H,119,151)(H,120,153)(H,121,165)(H,122,166)(H,124,164)(H,125,154)(H,126,146)(H,127,145)(H,128,147)(H,129,148)(H,130,158)(H,131,167)(H,132,152)(H,133,161)(H,134,155)(H,135,156)(H,136,160)(H,137,162)(H,138,157)(H,139,144)(H,140,163)(H,141,159)(H,149,150)(H,168,169)/t65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-,93-,94-/m0/s1
InChiKey: InChIKey=OFIZOVDANLLTQD-ZVNXOKPXSA-N

Property

Comments: ORIGINAL SKU: J60301-!D
TSCA: N
UNSPSC: 12000000

Safety information

WGK Germany: 3

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