LEESQVNDDIFNSLVKSVQQEQQHNV

CAS No.
CCD No.
CCD01390517
Formula
C128 H203 N37 O48
MolWeight
3028.22

Basic Information

Product Name: LEESQVNDDIFNSLVKSVQQEQQHNV
English Synonyms: H-LEU-GLU-GLU-SER-GLN-VAL-ASN-ASP-ASP-ILE-PHE-ASN-SER-LEU-VAL-LYS-SER-VAL-GLN-GLN-GLU-GLN-GLN-HIS-ASN-VAL-OH ; P FALCIPARUM LIVER-STAGE ANTIGEN 3-NRII (81-106) ; LSA3-NRII (81-106) ; LEESQVNDDIFNSLVKSVQQEQQHNV
MDL Number.: MFCD11975336
H bond acceptor: 85
H bond donor: 45
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N
InChi: InChI=1S/C128H203N37O48/c1-15-61(14)102(165-120(204)81(49-97(185)186)155-117(201)80(48-96(183)184)154-115(199)78(46-91(137)175)157-126(210)100(59(10)11)161-112(196)70(28-36-89(135)173)147-121(205)82(51-166)158-111(195)73(31-39-95(181)182)146-108(192)71(29-37-93(177)178)141-103(187)64(130)41-55(2)3)127(211)156-75(43-62-21-17-16-18-22-62)113(197)152-77(45-90(136)174)116(200)160-83(52-167)122(206)150-74(42-56(4)5)118(202)162-98(57(6)7)124(208)148-65(23-19-20-40-129)104(188)159-84(53-168)123(207)163-99(58(8)9)125(209)149-69(27-35-88(134)172)107(191)142-67(25-33-86(132)170)106(190)145-72(30-38-94(179)180)109(193)143-66(24-32-85(131)169)105(189)144-68(26-34-87(133)171)110(194)151-76(44-63-50-139-54-140-63)114(198)153-79(47-92(138)176)119(203)164-101(60(12)13)128(212)213/h16-18,21-22,50,54-61,64-84,98-102,166-168H,15,19-20,23-49,51-53,129-130H2,1-14H3,(H2,131,169)(H2,132,170)(H2,133,171)(H2,134,172)(H2,135,173)(H2,136,174)(H2,137,175)(H2,138,176)(H,139,140)(H,141,187)(H,142,191)(H,143,193)(H,144,189)(H,145,190)(H,146,192)(H,147,205)(H,148,208)(H,149,209)(H,150,206)(H,151,194)(H,152,197)(H,153,198)(H,154,199)(H,155,201)(H,156,211)(H,157,210)(H,158,195)(H,159,188)(H,160,200)(H,161,196)(H,162,202)(H,163,207)(H,164,203)(H,165,204)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,212,213)/t61-,64-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,98-,99-,100-,101-,102-/m0/s1
InChiKey: InChIKey=PEZHXPPECWYTBA-JLKCIDSISA-N

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