NY-ESO-1(157-165)

pro_cas
pro_cdbregno
CCD07145135
pro_formula
C49 H79 N11 O13 S2
pro_molWeight
1094.36

basic_info

Product_Name: NY-ESO-1(157-165)
EnglishSynonyms: S L L M W I T Q C ; NY-ESO-1(157-165)
pro_mdlNumber: MFCD22125260
pro_acceptors: 24
pro_donors: 14
pro_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)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N
InChi: InChI=1S/C49H79N11O13S2/c1-9-26(6)39(47(70)60-40(27(7)62)48(71)54-32(14-15-38(51)63)42(65)58-37(23-74)49(72)73)59-46(69)36(20-28-21-52-31-13-11-10-12-29(28)31)57-43(66)33(16-17-75-8)53-44(67)35(19-25(4)5)56-45(68)34(18-24(2)3)55-41(64)30(50)22-61/h10-13,21,24-27,30,32-37,39-40,52,61-62,74H,9,14-20,22-23,50H2,1-8H3,(H2,51,63)(H,53,67)(H,54,71)(H,55,64)(H,56,68)(H,57,66)(H,58,65)(H,59,69)(H,60,70)(H,72,73)/t26-,27+,30-,32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
InChiKey: InChIKey=VUKKCKFBCXDRLN-NVAXFOGYSA-N

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