MEI-BIS(PR-PHE-CIT-PABC-PNP)

pro_cas
pro_cdbregno
CCD07369401
pro_formula
C70 H76 N14 O20
pro_molWeight
1433.45

basic_info

Product_Name: MEI-BIS(PR-PHE-CIT-PABC-PNP)
EnglishSynonyms: MEI-BIS(PR-PHE-CIT-PABC-PNP)
pro_mdlNumber: MFCD22381202
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)CCN(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc5ccc(cc5)COC(=O)Oc6ccc(cc6)[N+](=O)[O-])CCN7C(=O)C=CC7=O
InChi: InChI=1S/C70H76N14O20/c71-67(93)73-35-7-13-55(63(89)75-49-19-15-47(16-20-49)43-101-69(95)103-53-27-23-51(24-28-53)83(97)98)79-65(91)57(41-45-9-3-1-4-10-45)77-59(85)33-37-81(39-40-82-61(87)31-32-62(82)88)38-34-60(86)78-58(42-46-11-5-2-6-12-46)66(92)80-56(14-8-36-74-68(72)94)64(90)76-50-21-17-48(18-22-50)44-102-70(96)104-54-29-25-52(26-30-54)84(99)100/h1-6,9-12,15-32,55-58H,7-8,13-14,33-44H2,(H,75,89)(H,76,90)(H,77,85)(H,78,86)(H,79,91)(H,80,92)(H3,71,73,93)(H3,72,74,94)/t55-,56-,57-,58-/m0/s1
InChiKey: InChIKey=DRNIGMDPFAUKNL-FFWKYUIQSA-N

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