H-Ala-Leu-Tyr-Lys-Lys-Leu-Leu-Lys-Lys-Leu-Leu-Lys-Ser-Ala-Lys-Lys-Leu-Gly-OH
CAS: 138555-82-5
| 1 | C18G |
| 2 | orb2277225 |
| 3 | SCHEMBL31694507 |
| 4 | EX-A8381A |
| 5 | HY-P5463 |
No description available for this item
| Molecular Formula | C98H179N25O21 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 2043.6000 |
| InChIKey | CHSBEXQMNKHZIZ-HBTDCBMGSA-N |
| InChI | InChI=1S/C98H179N25O21/c1-56(2)47-73(84(130)107-54-81(126)127)117-88(134)69(32-18-25-43-102)110-85(131)66(29-15-22-40-99)109-83(129)63(14)108-98(144)80(55-124)123-91(137)72(35-21-28-46-105)114-93(139)76(50-59(7)8)121-96(142)78(52-61(11)12)118-89(135)70(33-19-26-44-103)111-86(132)67(30-16-23-41-100)113-92(138)75(49-58(5)6)120-95(141)77(51-60(9)10)119-90(136)71(34-20-27-45-104)112-87(133)68(31-17-24-42-101)115-97(143)79(53-64-36-38-65(125)39-37-64)122-94(140)74(48-57(3)4)116-82(128)62(13)106/h36-39,56-63,66-80,124-125H,15-35,40-55,99-106H2,1-14H3,(H,107,130)(H,108,144)(H,109,129)(H,110,131)(H,111,132)(H,112,133)(H,113,138)(H,114,139)(H,115,143)(H,116,128)(H,117,134)(H,118,135)(H,119,136)(H,120,141)(H,121,142)(H,122,140)(H,123,137)(H,126,127)/t62-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 |
| XLogP | -1.2000 |
| ExactMass | 2043.3741 |
| MonoisotopicMass | 2042.3707 |
| TPSA | 781.0000 |
| Complexity | 3900.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 28 |
| HBondAcceptorCount | 29 |
| RotatableBondCount | 78 |
| HeavyAtomCount | 144 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 17 |
| DefinedAtomStereoCount | 17 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1 |
| PatentFamilyCount | 1 |
| LiteratureCount | 0 |