GP120-W61D-51

pro_cas
pro_cdbregno
CCD00416158
pro_formula
C67 H114 N22 O21 S3
pro_molWeight
1659.97

basic_info

Product_Name: GP120-W61D-51
EnglishSynonyms: H-ARG-LEU-ILE-HIS-CYS-ASN-SER-SER-VAL-MET-THR-GLN-ALA-CYS-PRO-OH ; RLIHCNSSVMTQAC-P ; GP120-W61D-51
pro_mdlNumber: MFCD03790088
pro_acceptors: 43
pro_donors: 24
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N
InChi: InChI=1S/C67H114N22O21S3/c1-10-32(6)50(87-58(101)39(21-30(2)3)79-53(96)36(68)13-11-18-74-67(71)72)63(106)81-40(22-35-24-73-29-75-35)56(99)84-44(27-111)61(104)80-41(23-48(70)94)57(100)82-42(25-90)59(102)83-43(26-91)60(103)86-49(31(4)5)62(105)78-38(17-20-113-9)55(98)88-51(34(8)92)64(107)77-37(15-16-47(69)93)54(97)76-33(7)52(95)85-45(28-112)65(108)89-19-12-14-46(89)66(109)110/h24,29-34,36-46,49-51,90-92,111-112H,10-23,25-28,68H2,1-9H3,(H2,69,93)(H2,70,94)(H,73,75)(H,76,97)(H,77,107)(H,78,105)(H,79,96)(H,80,104)(H,81,106)(H,82,100)(H,83,102)(H,84,99)(H,85,95)(H,86,103)(H,87,101)(H,88,98)(H,109,110)(H4,71,72,74)/t32-,33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-,50-,51-/m0/s1
InChiKey: InChIKey=CLEXKKQTXZVCKR-SSEJOSGPSA-N

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