Basic Information |
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| Product Name： | LLMWITQCFLPVFLAQPPSGQRR |
| English Synonyms： | NY-ESO-1 (158-180) ; H-LEU-LEU-MET-TRP-ILE-THR-GLN-CYS-PHE-LEU-PRO-VAL-PHE-LEU-ALA-GLN-PRO-PRO-SER-GLY-GLN-ARG-ARG-OH ; LLMWITQCFLPVFLAQPPSGQRR |
| MDL Number.： | MFCD11113694 |
| H bond acceptor： | 62 |
| H bond donor： | 33 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N |
| InChi： | InChI=1S/C126H197N33O29S2/c1-16-70(12)101(155-114(177)89(60-75-61-137-78-35-24-23-34-76(75)78)149-109(172)82(47-53-190-15)142-111(174)86(56-67(6)7)146-104(167)77(127)54-65(2)3)119(182)156-102(72(14)161)120(183)143-81(42-45-97(129)163)108(171)153-92(64-189)115(178)148-87(58-73-30-19-17-20-31-73)113(176)151-90(57-68(8)9)122(185)157-50-27-39-94(157)117(180)154-100(69(10)11)118(181)150-88(59-74-32-21-18-22-33-74)112(175)147-85(55-66(4)5)110(173)139-71(13)103(166)144-83(43-46-98(130)164)121(184)159-52-29-40-95(159)123(186)158-51-28-38-93(158)116(179)152-91(63-160)105(168)138-62-99(165)140-80(41-44-96(128)162)107(170)141-79(36-25-48-135-125(131)132)106(169)145-84(124(187)188)37-26-49-136-126(133)134/h17-24,30-35,61,65-72,77,79-95,100-102,137,160-161,189H,16,25-29,36-60,62-64,127H2,1-15H3,(H2,128,162)(H2,129,163)(H2,130,164)(H,138,168)(H,139,173)(H,140,165)(H,141,170)(H,142,174)(H,143,183)(H,144,166)(H,145,169)(H,146,167)(H,147,175)(H,148,178)(H,149,172)(H,150,181)(H,151,176)(H,152,179)(H,153,171)(H,154,180)(H,155,177)(H,156,182)(H,187,188)(H4,131,132,135)(H4,133,134,136)/t70-,71-,72+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,100-,101-,102-/m0/s1 |
| InChiKey： | InChIKey=YTCDBSXIAGWPTK-YYQBSSTESA-N |
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