Molecular Structure:
CCD No.:CCD00118545
GLY-ILE-ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP-CYS-PHE-LYS-LEU-VAL-PRO
Formula:C94 H137 N21 O19 S
MolWeight:1897.31
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| Product Name： | GLY-ILE-ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP-CYS-PHE-LYS-LEU-VAL-PRO |
| English Synonyms： | GLY-ILE-ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP-CYS-PHE-LYS-LEU-VAL-PRO ; NEF MN (134-149) |
| MDL Number.： | MFCD00273845 |
| H bond acceptor： | 40 |
| H bond donor： | 22 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc6ccccc6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)O)NC(=O)CN |
| InChi： | InChI=1S/C94H137N21O19S/c1-10-55(8)78(111-75(118)48-96)89(129)104-65(31-21-39-99-94(97)98)82(122)109-71(46-59-34-36-61(117)37-35-59)91(131)114-40-22-32-73(114)88(128)107-67(43-53(4)5)86(126)113-79(56(9)116)90(130)108-68(44-57-24-13-11-14-25-57)80(120)101-50-76(119)102-70(47-60-49-100-63-29-18-17-28-62(60)63)84(124)110-72(51-135)87(127)106-69(45-58-26-15-12-16-27-58)83(123)103-64(30-19-20-38-95)81(121)105-66(42-52(2)3)85(125)112-77(54(6)7)92(132)115-41-23-33-74(115)93(133)134/h11-18,24-29,34-37,49,52-56,64-74,77-79,100,116-117,135H,10,19-23,30-33,38-48,50-51,95-96H2,1-9H3,(H,101,120)(H,102,119)(H,103,123)(H,104,129)(H,105,121)(H,106,127)(H,107,128)(H,108,130)(H,109,122)(H,110,124)(H,111,118)(H,112,125)(H,113,126)(H,133,134)(H4,97,98,99)/t55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,77-,78-,79-/m0/s1 |
| InChiKey： | InChIKey=HVACILLQBHUJIR-MADRJMBFSA-N |
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