851609-33-1
2,2',2'',2'''-(1,2-PHENYLENEBIS[(1R,3R)-TETRAHYDRO-5,8-DIOXO-1H-[1,2,4]DIAZAPHOSPHOLO[1,2-A]PYRIDAZINE-2,1,3(3H)-TRIYL])TETRAKIS(N-[(1S)-1-PHENYLETHYL])BENZAMIDE
Name
2,2',2'',2'''-(1,2-PHENYLENEBIS[(1R,3R)-TETRAHYDRO-5,8-DIOXO-1H-[1,2,4]DIAZAPHOSPHOLO[1,2-A]PYRIDAZINE-2,1,3(3H)-TRIYL])TETRAKIS(N-[(1S)-1-PHENYLETHYL])BENZAMIDE
pro_formula
C78 H72 N8 O8 P2
pro_molWeight
1311.42
1Identification
【Name】
2,2',2'',2'''-(1,2-PHENYLENEBIS[(1R,3R)-TETRAHYDRO-5,8-DIOXO-1H-[1,2,4]DIAZAPHOSPHOLO[1,2-A]PYRIDAZINE-2,1,3(3H)-TRIYL])TETRAKIS(N-[(1S)-1-PHENYLETHYL])BENZAMIDE
【CAS】
【MDL】
MFCD10566994
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C78 H72 N8 O8 P2
【pro_molWeight】
1311.42
【Inchi】
InChI=1S/C78H72N8O8P2/c1-49(53-27-9-5-10-28-53)79-71(91)57-35-17-21-39-61(57)75-83-67(87)45-46-68(88)84(83)76(62-40-22-18-36-58(62)72(92)80-50(2)54-29-11-6-12-30-54)95(75)65-43-25-26-44-66(65)96-77(63-41-23-19-37-59(63)73(93)81-51(3)55-31-13-7-14-32-55)85-69(89)47-48-70(90)86(85)78(96)64-42-24-20-38-60(64)74(94)82-52(4)56-33-15-8-16-34-56/h5-44,49-52,75-78H,45-48H2,1-4H3,(H,79,91)(H,80,92)(H,81,93)(H,82,94)/t49-,50-,51-,52-,75+,76+,77+,78+/m0/s1
【InChIKey】
InChIKey=NTWCWWNZWYJTEP-JMTUPYQHSA-N
【SMILES】
C[C@@H](c1ccccc1)NC(=O)c2ccccc2[C@@H]3N4C(=O)CCC(=O)N4[C@H](P3c5ccccc5P6[C@@H](N7C(=O)CCC(=O)N7[C@H]6c8ccccc8C(=O)N[C@@H](C)c9ccccc9)c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1C(=O)N[C@@H](C)c1ccccc1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:16
XLogP3:8.0
Bulk/Fine:F