47922-48-5
[GLN8] LH-RH, CHICKEN
Name[GLN8] LH-RH, CHICKEN
1Identification
【Name】
[GLN8] LH-RH, CHICKEN
【CAS】
【MDL】
MFCD00133507
【English Synonyms】
【Formula】
C54 H71 N15 O14
【MolWeight】
1154.25
【Inchi】
InChI=1S/C54H71N15O14/c1-28(2)18-37(49(78)64-36(13-15-43(55)72)54(83)69-17-5-8-42(69)53(82)59-24-44(56)73)63-46(75)25-60-47(76)38(19-29-9-11-32(71)12-10-29)65-52(81)41(26-70)68-50(79)39(20-30-22-58-34-7-4-3-6-33(30)34)66-51(80)40(21-31-23-57-27-61-31)67-48(77)35-14-16-45(74)62-35/h3-4,6-7,9-12,22-23,27-28,35-42,58,70-71H,5,8,13-21,24-26H2,1-2H3,(H2,55,72)(H2,56,73)(H,57,61)(H,59,82)(H,60,76)(H,62,74)(H,63,75)(H,64,78)(H,65,81)(H,66,80)(H,67,77)(H,68,79)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
【InChIKey】
InChIKey=WPKQYFUSPONRAT-BXXNOCLASA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCC(=O)N6
【MOL File】
[GLN8] LH-RH, CHICKE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:15
H bond acceptor:29
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[GLN8] LH-RH, CHICKEN.cml