ANGIOTENSINOGEN (1-13) (HUMAN)（CAS号：82048-97-3）

O=C([C@H](CC1=CNC=N1)NC([C@H]([C@@H](C)CC)NC([C@H](CC1C=CC(=CC=1)O)NC([C@H](C(C)C)NC([C@H](CCCNC(=N)N)NC([C@H](CC(=O)O)N)=O)=O)=O)=O)=O)N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC1=CNC=N1)=O)[C@@H](C)CC)=O)C(C)C)=O)CC(C)C)=O)CC1=CNC=N1)=O)CC1C=CC=CC=1)=O

InChI

1S/C79H116N22O17/c1-11-44(9)64(99-71(110)56(30-47-22-24-51(102)25-23-47)94-73(112)62(42(5)6)97-67(106)53(20-16-26-86-79(81)82)90-66(105)52(80)34-61(103)104)75(114)95-58(32-49-36-84-39-88-49)77(116)101-27-17-21-60(101)72(111)93-55(29-46-18-14-13-15-19-46)68(107)92-57(31-48-35-83-38-87-48)69(108)91-54(28-41(3)4)70(109)98-63(43(7)8)74(113)100-65(45(10)12-2)76(115)96-59(78(117)118)33-50-37-85-40-89-50/h13-15,18-19,22-25,35-45,52-60,62-65,102H,11-12,16-17,20-21,26-34,80H2,1-10H3,(H,83,87)(H,84,88)(H,85,89)(H,90,105)(H,91,108)(H,92,107)(H,93,111)(H,94,112)(H,95,114)(H,96,115)(H,97,106)(H,98,109)(H,99,110)(H,100,113)(H,103,104)(H,117,118)(H4,81,82,86)/t44-,45-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-,64-,65-/m0/s1

InChIKey

LNAACUNIBFSGKG-NIHJDLRZSA-N

LogP

-1.0012299999999845

拓扑极性表面积

609.2 Ų

氢键供体/受体

23 / 39