DELFNELLNSVDVNGENILEESQ

CAS No.
CCD No.
CCD01020554
Formula
C111 H174 N28 O45
MolWeight
2620.75

Basic Information

Product Name: DELFNELLNSVDVNGENILEESQ
English Synonyms: P FALCIPARUM LIVER-STAGE ANTIGEN 3-NRI ; DELFNELLNSVDVNGENILEESQ ; H-ASP-GLU-LEU-PHE-ASN-GLU-LEU-LEU-ASN-SER-VAL-ASP-VAL-ASN-GLY-GLU-ASN-ILE-LEU-GLU-GLU-SER-GLN-OH ; P FALCIPARUM LSA3-NRI ; LSA3-NRI
MDL Number.: MFCD11113658
H bond acceptor: 73
H bond donor: 38
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C111H174N28O45/c1-15-53(14)89(110(182)132-65(36-50(8)9)97(169)122-58(24-30-82(152)153)93(165)121-60(26-32-84(156)157)96(168)135-72(45-140)106(178)124-61(111(183)184)21-27-74(113)142)139-104(176)70(42-78(117)146)129-92(164)56(22-28-80(148)149)119-79(147)44-118-91(163)67(39-75(114)143)133-108(180)87(51(10)11)137-105(177)71(43-86(160)161)134-109(181)88(52(12)13)138-107(179)73(46-141)136-103(175)69(41-77(116)145)130-100(172)64(35-49(6)7)127-98(170)62(33-47(2)3)126-95(167)59(25-31-83(154)155)123-102(174)68(40-76(115)144)131-101(173)66(37-54-19-17-16-18-20-54)128-99(171)63(34-48(4)5)125-94(166)57(23-29-81(150)151)120-90(162)55(112)38-85(158)159/h16-20,47-53,55-73,87-89,140-141H,15,21-46,112H2,1-14H3,(H2,113,142)(H2,114,143)(H2,115,144)(H2,116,145)(H2,117,146)(H,118,163)(H,119,147)(H,120,162)(H,121,165)(H,122,169)(H,123,174)(H,124,178)(H,125,166)(H,126,167)(H,127,170)(H,128,171)(H,129,164)(H,130,172)(H,131,173)(H,132,182)(H,133,180)(H,134,181)(H,135,168)(H,136,175)(H,137,177)(H,138,179)(H,139,176)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,183,184)/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,87-,88-,89-/m0/s1
InChiKey: InChIKey=KQAMBTQXWLOPEP-YRCKNAIJSA-N

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