主记录
Enlicitide chloride
- CAS
- 2407527-16-4
- PubChem CID
- 166642685
- SMILES
- C[C@H]1C(=O)N[C@@H](C(=O)N[C@H]2CC3=CC(=CC=C3)CNC(=O)CO[C@H]4CCN5[C@@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N6CCC[C@]6(C(=O)NCCC7=CC=C(CN(CCCCCCN8C=C(C[C@@H](C5=O)NC2=O)C9=C8C=CC(=C9)F)C(=O)CCC(=O)N1)C=C7)C)CC1=CC=C(C=C1)OC)[C@@H](C)O)CNC(=O)CCCCC[N+](C)(C)C.[Cl-]
- 分子式
- C82H110ClFN14O15
- 分子量
- 1586.316
- 精确分子量
- 1584.7948
- InChI
- InChI=1S/C82H109FN14O15.ClH/c1-51-74(103)91-65(47-86-68(99)19-11-10-14-40-97(4,5)6)76(105)88-62-43-56-17-15-18-57(41-56)46-85-70(101)50-112-67-33-39-95-73(67)78(107)92-72(52(2)98)77(106)90-63(42-54-24-27-60(111-7)28-25-54)80(109)96-38-16-34-82(96,3)81(110)84-35-32-53-20-22-55(23-21-53)48-94(71(102)31-30-69(100)87-51)37-13-9-8-12-36-93-49-58(44-64(79(95)108)89-75(62)104)61-45-59(83)26-29-66(61)93;/h15,17-18,20-29,41,45,49,51-52,62-65,67,72-73,98H,8-14,16,19,30-40,42-44,46-48,50H2,1-7H3,(H8-,84,85,86,87,88,89,90,91,92,99,100,101,103,104,105,106,107,110);1H/t51-,52+,62-,63-,64-,65+,67-,72-,73-,82-;/m0./s1
- InChIKey
- CLOLWQCFULXMAR-QQCDJELVSA-N
- LogP
- -0.4345
- TPSA
- 366.45
名称与别名
- Enlicitide chloride
- Enlicitide (chloride)
- Chlorure d'enlicitide
- Chloruro de enlicitida
- 3D2DNA8NXK
- MK-0616 (chloride)
- RefChem:1084095
- enlicitide chloride [INN]
- orb2645918
- CHEMBL6067978
- GLXC-26846
- HY-P4153
- ENLICITIDE CHLORIDE (MK-0616)
- 2407527-16-4
- EX-A12005
- AT44152
- DA-73112
- CS-0641236
- [6-[[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-Fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecazanonacyclo[37.18.11.23,6.124,42.133,37.144,51.011,15.023,27.045,50]triheptaconta-3(73),4,6(72),33,35,37(71),44(69),45(50),46,48-decaen-66-yl]methylamino]-6-oxohexyl]-trimethylazanium chloride
- [6-[[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecazanonacyclo[37.18.11.23,6.124,42.133,37.144,51.011,15.023,27.045,50]triheptaconta-3(73),4,6(72),33,35,37(71),44(69),45(50),46,48-decaen-66-yl]methylamino]-6-oxohexyl]-trimethylazanium;chloride
- 1,4:3,5:4,8-trianhydro[L-alanyl-3-[6-(trimethylazaniumyl)hexanamido]-D-alanyl-3-(aminomethyl)-L-phenylalanyl-1-{6-[{[4-(2- aminoethyl)phenyl]methyl}(3-carboxypropanoyl)amino]hexyl}-5-fluoro-L-tryptophyl- (3S)-3-(carboxymethoxy)-L-prolyl-L-threonyl-O-methyl-L-tyrosyl-2-methyl-L-proline] chloride