Basic Information |
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Product Name: | H-GLN-GLY-ILE-SER-PHE-PSER-GLN-PRO-THR-CYS-OH |
English Synonyms: | [PS345]-CHK1 ; H-GLN-GLY-ILE-SER-PHE-PSER-GLN-PRO-THR-CYS-OH ; QGISF-PS-QPTC |
MDL Number.: | MFCD11113726 |
H bond acceptor: | 31 |
H bond donor: | 16 |
Smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)N |
InChi: | InChI=1S/C45H71N12O19PS/c1-4-22(2)35(55-34(62)18-49-37(63)25(46)12-14-32(47)60)42(68)52-28(19-58)39(65)51-27(17-24-9-6-5-7-10-24)38(64)53-29(20-76-77(73,74)75)40(66)50-26(13-15-33(48)61)44(70)57-16-8-11-31(57)41(67)56-36(23(3)59)43(69)54-30(21-78)45(71)72/h5-7,9-10,22-23,25-31,35-36,58-59,78H,4,8,11-21,46H2,1-3H3,(H2,47,60)(H2,48,61)(H,49,63)(H,50,66)(H,51,65)(H,52,68)(H,53,64)(H,54,69)(H,55,62)(H,56,67)(H,71,72)(H2,73,74,75)/t22-,23+,25-,26-,27-,28-,29-,30-,31-,35-,36-/m0/s1 |
InChiKey: | InChIKey=KXNSZYGRTRKSJB-VQAGFDEXSA-N |
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