Molecular Structure:
CCD No.:CCD00416145
GP120-W61D-38
Formula:C81 H130 N22 O23 S
MolWeight:1812.11
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| Product Name： | GP120-W61D-38 |
| English Synonyms： | H-GLU-ILE-ARG-LYS-GLY-GLU-ILE-LYS-ASN-CYS-PHE-PHE-ASN-ILE-THR-OH ; EIRKGEIKNCFFNIT ; GP120-W61D-38 |
| MDL Number.： | MFCD03790075 |
| H bond acceptor： | 45 |
| H bond donor： | 26 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)N |
| InChi： | InChI=1S/C81H130N22O23S/c1-8-42(4)63(100-67(112)48(84)29-31-61(108)109)77(122)94-51(28-21-35-89-81(87)88)69(114)92-49(26-17-19-33-82)68(113)90-40-60(107)91-52(30-32-62(110)111)71(116)101-64(43(5)9-2)78(123)93-50(27-18-20-34-83)70(115)97-55(38-58(85)105)74(119)99-57(41-127)76(121)96-54(37-47-24-15-12-16-25-47)72(117)95-53(36-46-22-13-11-14-23-46)73(118)98-56(39-59(86)106)75(120)102-65(44(6)10-3)79(124)103-66(45(7)104)80(125)126/h11-16,22-25,42-45,48-57,63-66,104,127H,8-10,17-21,26-41,82-84H2,1-7H3,(H2,85,105)(H2,86,106)(H,90,113)(H,91,107)(H,92,114)(H,93,123)(H,94,122)(H,95,117)(H,96,121)(H,97,115)(H,98,118)(H,99,119)(H,100,112)(H,101,116)(H,102,120)(H,103,124)(H,108,109)(H,110,111)(H,125,126)(H4,87,88,89)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-,66-/m0/s1 |
| InChiKey： | InChIKey=RPEFQNHHTYCLSL-SOKWRIFUSA-N |
Basic Information
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