HP-1 TOXIN_Chemical Cloud Database

HP-1 TOXIN

Basic Information
Product Name：	HP-1 TOXIN
English Synonyms：	HP-1 TOXIN ; LFRLIAKTLGSLM
MDL Number.：	MFCD18252144
H bond acceptor：	33
H bond donor：	20
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@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N
InChi：	InChI=1S/C67H117N17O16S/c1-14-39(10)53(83-61(94)48(31-37(6)7)79-57(90)44(24-20-27-72-67(70)71)77-60(93)49(32-42-21-16-15-17-22-42)81-63(96)52(69)38(8)9)64(97)74-40(11)55(88)76-43(23-18-19-26-68)58(91)84-54(41(12)86)65(98)82-46(29-35(2)3)56(89)73-33-51(87)75-50(34-85)62(95)80-47(30-36(4)5)59(92)78-45(66(99)100)25-28-101-13/h15-17,21-22,35-41,43-50,52-54,85-86H,14,18-20,23-34,68-69H2,1-13H3,(H,73,89)(H,74,97)(H,75,87)(H,76,88)(H,77,93)(H,78,92)(H,79,90)(H,80,95)(H,81,96)(H,82,98)(H,83,94)(H,84,91)(H,99,100)(H4,70,71,72)/t39-,40-,41-,43-,44-,45-,46-,47-,48-,49-,50-,52-,53-,54+/m0/s1
InChiKey：	InChIKey=RXJCIDMFXZFVAA-BPBUJLJZSA-N

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