150671-05-9

CERATOTOXIN B

CAS No.: 150671-05-9
CCD No.: CCD00107803
Formula: C138 H241 N35 O32
MolWeight: 2902.64

Basic Information
Product Name：	CERATOTOXIN B
CAS：	150671-05-9
English Synonyms：	H-SER-ILE-GLY-SER-ALA-PHE-LYS-LYS-ALA-LEU-PRO-VAL-ALA-LYS-LYS-ILE-GLY-LYS-ALA-ALA-LEU-PRO-ILE-ALA-LYS-ALA-ALA-LEU-PRO-OH ; SIGSAFKKALPVAKKIGKAALPIAKAALP ; CERATOTOXIN B
MDL Number.：	MFCD00236917
H bond acceptor：	67
H bond donor：	35
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)N
InChi：	InChI=1S/C138H241N35O32/c1-24-78(13)108(167-119(185)90(145)72-174)130(196)147-71-106(177)156-101(73-175)127(193)151-84(19)115(181)162-97(69-89-46-29-28-30-47-89)126(192)161-95(52-35-41-61-143)123(189)159-93(50-33-39-59-141)121(187)150-85(20)117(183)163-98(66-74(5)6)135(201)171-63-43-54-102(171)128(194)166-107(77(11)12)132(198)152-86(21)113(179)158-94(51-34-40-60-142)122(188)160-96(53-36-42-62-144)125(191)168-109(79(14)25-2)131(197)146-70-105(176)155-91(48-31-37-57-139)124(190)169-110(80(15)26-3)133(199)154-88(23)118(184)164-99(67-75(7)8)136(202)172-64-44-55-103(172)129(195)170-111(81(16)27-4)134(200)153-87(22)114(180)157-92(49-32-38-58-140)120(186)149-82(17)112(178)148-83(18)116(182)165-100(68-76(9)10)137(203)173-65-45-56-104(173)138(204)205/h28-30,46-47,74-88,90-104,107-111,174-175H,24-27,31-45,48-73,139-145H2,1-23H3,(H,146,197)(H,147,196)(H,148,178)(H,149,186)(H,150,187)(H,151,193)(H,152,198)(H,153,200)(H,154,199)(H,155,176)(H,156,177)(H,157,180)(H,158,179)(H,159,189)(H,160,188)(H,161,192)(H,162,181)(H,163,183)(H,164,184)(H,165,182)(H,166,194)(H,167,185)(H,168,191)(H,169,190)(H,170,195)(H,204,205)/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,107-,108-,109-,110-,111-/m0/s1
InChiKey：	InChIKey=ZACMMWJLLMNJIU-VAYVKEOWSA-N

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