GP120-W61D-1

pro_cas
pro_cdbregno
CCD00416108
pro_formula
C90 H145 N29 O22 S
pro_molWeight
2017.38

basic_info

Product_Name: GP120-W61D-1
EnglishSynonyms: H-MET-LYS-VAL-LYS-GLU-THR-ARG-LYS-ASN-TYR-GLN-HIS-LEU-TRP-ARG-OH ; MKVKETRKNYQHLWR ; GP120-W61D-1
pro_mdlNumber: MFCD03790038
pro_acceptors: 51
pro_donors: 32
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)N
InChi: InChI=1S/C90H145N29O22S/c1-47(2)39-64(81(133)115-66(41-51-44-104-56-18-8-7-17-54(51)56)83(135)112-63(88(140)141)23-16-37-103-90(99)100)113-84(136)67(42-52-45-101-46-105-52)116-78(130)61(28-30-69(95)122)109-82(134)65(40-50-24-26-53(121)27-25-50)114-85(137)68(43-70(96)123)117-77(129)57(19-9-12-33-91)107-76(128)60(22-15-36-102-89(97)98)111-87(139)73(49(5)120)119-80(132)62(29-31-71(124)125)108-75(127)58(20-10-13-34-92)110-86(138)72(48(3)4)118-79(131)59(21-11-14-35-93)106-74(126)55(94)32-38-142-6/h7-8,17-18,24-27,44-49,55,57-68,72-73,104,120-121H,9-16,19-23,28-43,91-94H2,1-6H3,(H2,95,122)(H2,96,123)(H,101,105)(H,106,126)(H,107,128)(H,108,127)(H,109,134)(H,110,138)(H,111,139)(H,112,135)(H,113,136)(H,114,137)(H,115,133)(H,116,130)(H,117,129)(H,118,131)(H,119,132)(H,124,125)(H,140,141)(H4,97,98,102)(H4,99,100,103)/t49-,55+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,72+,73+/m1/s1
InChiKey: InChIKey=XRULXFYZHGYXRE-ZBISDYBYSA-N

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