GP120-W61D-17_ChemCD

GP120-W61D-17

basic_info
Product_Name：	GP120-W61D-17
EnglishSynonyms：	GP120-W61D-17 ; HNVWATHAC-VPTDPN ; H-HIS-ASN-VAL-TRP-ALA-THR-HIS-ALA-CYS-VAL-PRO-THR-ASP-PRO-ASN-OH
pro_mdlNumber：	MFCD03790054
pro_acceptors：	44
pro_donors：	22
pro_smile：	CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc6c[nH]cn6)N
InChi：	InChI=1S/C72H104N22O22S/c1-31(2)54(89-63(106)45(22-51(74)97)83-60(103)41(73)20-38-26-76-29-79-38)67(110)84-43(19-37-25-78-42-14-10-9-13-40(37)42)61(104)82-34(6)59(102)91-56(35(7)95)68(111)85-44(21-39-27-77-30-80-39)62(105)81-33(5)58(101)88-48(28-117)64(107)90-55(32(3)4)71(114)94-18-12-16-50(94)66(109)92-57(36(8)96)69(112)86-46(24-53(99)100)70(113)93-17-11-15-49(93)65(108)87-47(72(115)116)23-52(75)98/h9-10,13-14,25-27,29-36,41,43-50,54-57,78,95-96,117H,11-12,15-24,28,73H2,1-8H3,(H2,74,97)(H2,75,98)(H,76,79)(H,77,80)(H,81,105)(H,82,104)(H,83,103)(H,84,110)(H,85,111)(H,86,112)(H,87,108)(H,88,101)(H,89,106)(H,90,107)(H,91,102)(H,92,109)(H,99,100)(H,115,116)/t33-,34-,35+,36+,41-,43-,44-,45-,46-,47-,48-,49-,50-,54-,55-,56-,57-/m0/s1
InChiKey：	InChIKey=HITVGXMXUFAAPF-TUROVURXSA-N

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