ALA-GLN-GLY-THR-LEU-SER-LYS-ILE-PHE-LYS-LEU-GLY-GLY-ARG-ASP-SER-ARG-SER-GLY-SER-PRO-MET-ALA-ARG-ARG_Chemical Cloud Database

ALA-GLN-GLY-THR-LEU-SER-LYS-ILE-PHE-LYS-LEU-GLY-GLY-ARG-ASP-SER-ARG-SER-GLY-SER-PRO-MET-ALA-ARG-ARG

ALA-GLN-GLY-THR-LEU-SER-LYS-ILE-PHE-LYS-LEU-GLY-GLY-ARG-ASP-SER-ARG-SER-GLY-SER-PRO-MET-ALA-ARG-ARG

CAS No.
CCD No.: CCD01268522
Formula: C112 H194 N40 O34 S
MolWeight: 2677.08

Basic Information
Product Name：	ALA-GLN-GLY-THR-LEU-SER-LYS-ILE-PHE-LYS-LEU-GLY-GLY-ARG-ASP-SER-ARG-SER-GLY-SER-PRO-MET-ALA-ARG-ARG
English Synonyms：	MBP (146-170) ; ALA-GLN-GLY-THR-LEU-SER-LYS-ILE-PHE-LYS-LEU-GLY-GLY-ARG-ASP-SER-ARG-SER-GLY-SER-PRO-MET-ALA-ARG-ARG
MDL Number.：	MFCD11656202
H bond acceptor：	74
H bond donor：	46
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)N
InChi：	InChI=1S/C112H194N40O34S/c1-11-58(6)86(151-98(175)65(27-16-18-37-114)139-102(179)76(53-154)148-99(176)72(45-57(4)5)145-106(183)87(61(9)157)150-84(162)51-131-90(167)68(33-34-80(116)158)136-88(165)59(7)115)105(182)146-73(46-62-24-13-12-14-25-62)100(177)138-64(26-15-17-36-113)96(173)143-71(44-56(2)3)91(168)130-48-81(159)129-49-82(160)134-63(28-19-38-125-109(117)118)94(171)144-74(47-85(163)164)101(178)149-77(54-155)103(180)140-67(30-21-40-127-111(121)122)97(174)147-75(52-153)92(169)132-50-83(161)135-78(55-156)107(184)152-42-23-32-79(152)104(181)141-69(35-43-187-10)93(170)133-60(8)89(166)137-66(29-20-39-126-110(119)120)95(172)142-70(108(185)186)31-22-41-128-112(123)124/h12-14,24-25,56-61,63-79,86-87,153-157H,11,15-23,26-55,113-115H2,1-10H3,(H2,116,158)(H,129,159)(H,130,168)(H,131,167)(H,132,169)(H,133,170)(H,134,160)(H,135,161)(H,136,165)(H,137,166)(H,138,177)(H,139,179)(H,140,180)(H,141,181)(H,142,172)(H,143,173)(H,144,171)(H,145,183)(H,146,182)(H,147,174)(H,148,176)(H,149,178)(H,150,162)(H,151,175)(H,163,164)(H,185,186)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)(H4,123,124,128)/t58-,59-,60-,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,86-,87-/m0/s1
InChiKey：	InChIKey=DLZWYEIFWCNORX-MFULJDOFSA-N

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