LYS-TRP-SER-LYS-SER-SER-VAL-VAL-GLY-TRP-PRO-THR-VAL-ARG-GLU

CAS No.
CCD No.
CCD00118264
Formula
C80 H124 N22 O22
MolWeight
1745.99

Basic Information

Product Name: LYS-TRP-SER-LYS-SER-SER-VAL-VAL-GLY-TRP-PRO-THR-VAL-ARG-GLU
English Synonyms: LYS-TRP-SER-LYS-SER-SER-VAL-VAL-GLY-TRP-PRO-THR-VAL-ARG-GLU ; NEF (4-18)
MDL Number.: MFCD00273562
H bond acceptor: 44
H bond donor: 27
Smile: CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](CCCCN)N
InChi: InChI=1S/C80H124N22O22/c1-40(2)62(99-76(120)64(42(5)6)98-72(116)58(39-105)97-71(115)57(38-104)95-68(112)51(23-13-15-29-82)91-70(114)56(37-103)96-69(113)54(94-66(110)48(83)20-12-14-28-81)32-44-34-87-49-21-10-8-18-46(44)49)74(118)89-36-60(107)90-55(33-45-35-88-50-22-11-9-19-47(45)50)78(122)102-31-17-25-59(102)73(117)101-65(43(7)106)77(121)100-63(41(3)4)75(119)92-52(24-16-30-86-80(84)85)67(111)93-53(79(123)124)26-27-61(108)109/h8-11,18-19,21-22,34-35,40-43,48,51-59,62-65,87-88,103-106H,12-17,20,23-33,36-39,81-83H2,1-7H3,(H,89,118)(H,90,107)(H,91,114)(H,92,119)(H,93,111)(H,94,110)(H,95,112)(H,96,113)(H,97,115)(H,98,116)(H,99,120)(H,100,121)(H,101,117)(H,108,109)(H,123,124)(H4,84,85,86)/t43-,48+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+,64+,65+/m1/s1
InChiKey: InChIKey=XHDDVPYZWRYJSD-VFPGQLPZSA-N

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