MPI-BIS(AC-PHE-CIT-PABC-PNP)_ChemCD

MPI-BIS(AC-PHE-CIT-PABC-PNP)

basic_info
Product_Name：	MPI-BIS(AC-PHE-CIT-PABC-PNP)
EnglishSynonyms：	MPI-BIS(AC-PHE-CIT-PABC-PNP)
pro_mdlNumber：	MFCD22381205
pro_acceptors：	34
pro_donors：	10
pro_smile：	c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc2ccc(cc2)COC(=O)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)CN(CCCN4C(=O)C=CC4=O)CC(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc6ccc(cc6)COC(=O)Oc7ccc(cc7)[N+](=O)[O-]
InChi：	InChI=1S/C69H74N14O20/c70-66(92)72-34-7-14-54(62(88)74-48-20-16-46(17-21-48)42-100-68(94)102-52-28-24-50(25-29-52)82(96)97)78-64(90)56(38-44-10-3-1-4-11-44)76-58(84)40-80(36-9-37-81-60(86)32-33-61(81)87)41-59(85)77-57(39-45-12-5-2-6-13-45)65(91)79-55(15-8-35-73-67(71)93)63(89)75-49-22-18-47(19-23-49)43-101-69(95)103-53-30-26-51(27-31-53)83(98)99/h1-6,10-13,16-33,54-57H,7-9,14-15,34-43H2,(H,74,88)(H,75,89)(H,76,84)(H,77,85)(H,78,90)(H,79,91)(H3,70,72,92)(H3,71,73,93)/t54-,55-,56-,57-/m0/s1
InChiKey：	InChIKey=QZATWSFVMJWHOB-BNCXHCIVSA-N

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