AILKCNNKTFDGKGL

pro_cas
pro_cdbregno
CCD00416165
pro_formula
C71 H120 N20 O21 S
pro_molWeight
1621.91

basic_info

Product_Name: AILKCNNKTFDGKGL
EnglishSynonyms: AILKCNNKTFDGKGL ; GP120-W61D-59 ; H-ALA-ILE-LEU-LYS-CYS-ASN-ASN-LYS-THR-PHE-ASP-GLY-LYS-GLY-LEU-OH
pro_mdlNumber: MFCD03790096
pro_acceptors: 41
pro_donors: 23
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C)N
InChi: InChI=1S/C71H120N20O21S/c1-9-38(6)57(90-59(99)39(7)75)69(109)87-45(27-36(2)3)64(104)82-43(22-14-17-25-73)62(102)89-51(35-113)68(108)85-48(31-53(77)94)67(107)84-47(30-52(76)93)66(106)83-44(23-15-18-26-74)63(103)91-58(40(8)92)70(110)88-46(29-41-19-11-10-12-20-41)65(105)86-49(32-56(97)98)61(101)79-33-54(95)80-42(21-13-16-24-72)60(100)78-34-55(96)81-50(71(111)112)28-37(4)5/h10-12,19-20,36-40,42-51,57-58,92,113H,9,13-18,21-35,72-75H2,1-8H3,(H2,76,93)(H2,77,94)(H,78,100)(H,79,101)(H,80,95)(H,81,96)(H,82,104)(H,83,106)(H,84,107)(H,85,108)(H,86,105)(H,87,109)(H,88,110)(H,89,102)(H,90,99)(H,91,103)(H,97,98)(H,111,112)/t38-,39-,40+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-/m0/s1
InChiKey: InChIKey=IUDNHGGNLGDEHS-DETJDXFASA-N

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