InChIKey | PVIGDHFFYGBPAH-AXJNMMKRSA-N |
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Inchi | 1S/C55H80N14O11/c1-29(2)19-37(56)44(70)24-47(73)69(43(49(59)74)20-30(3)4)55(80)42(23-35-26-60-28-63-35)65-46(72)27-62-54(79)48(31(5)6)68-50(75)32(7)64-53(78)41(22-34-25-61-39-16-12-11-15-36(34)39)67-52(77)40(17-18-45(58)71)66-51(76)38(57)21-33-13-9-8-10-14-33/h8-16,25-26,28-32,37-38,40-44,48,61,70H,17-24,27,56-57H2,1-7H3,(H2,58,71)(H2,59,74)(H,60,63)(H,62,79)(H,64,78)(H,65,72)(H,66,76)(H,67,77)(H,68,75)/t32-,37?,38+,40-,41-,42-,43-,44?,48-/m0/s1 |
SMILES | C(N)(=O)[C@H](CC(C)C)N(C(=O)[C@H](CC1N=CNC=1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC1=CC=CC=C1)N)C(=O)CC(O)C(N)CC(C)C |
沸点 | 1580.4±65.0 °C(Predicted) |
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酸度系数(pKa) | 13.03±0.46(Predicted) |
密度 | 1.269±0.06 g/cm3(Predicted) |