GP120-W61D-76

pro_cas
pro_cdbregno
CCD00416182
pro_formula
C66 H116 N26 O22 S
pro_molWeight
1657.87

basic_info

Product_Name: GP120-W61D-76
EnglishSynonyms: VAINCTRPNNNTRKG ; GP120-W61D-76 ; H-VAL-ALA-ILE-ASN-CYS-THR-ARG-PRO-ASN-ASN-ASN-THR-ARG-LYS-GLY-OH
pro_mdlNumber: MFCD03790113
pro_acceptors: 48
pro_donors: 28
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N
InChi: InChI=1S/C66H116N26O22S/c1-8-29(4)48(89-51(101)30(5)80-60(110)47(72)28(2)3)61(111)87-38(24-44(70)97)56(106)88-40(27-115)58(108)91-50(32(7)94)63(113)83-35(16-12-20-78-66(75)76)64(114)92-21-13-17-41(92)59(109)86-37(23-43(69)96)55(105)84-36(22-42(68)95)54(104)85-39(25-45(71)98)57(107)90-49(31(6)93)62(112)82-34(15-11-19-77-65(73)74)53(103)81-33(14-9-10-18-67)52(102)79-26-46(99)100/h28-41,47-50,93-94,115H,8-27,67,72H2,1-7H3,(H2,68,95)(H2,69,96)(H2,70,97)(H2,71,98)(H,79,102)(H,80,110)(H,81,103)(H,82,112)(H,83,113)(H,84,105)(H,85,104)(H,86,109)(H,87,111)(H,88,106)(H,89,101)(H,90,107)(H,91,108)(H,99,100)(H4,73,74,77)(H4,75,76,78)/t29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-,48-,49-,50-/m0/s1
InChiKey: InChIKey=DINISITUBLDBNS-CEEJRYRBSA-N

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