77714-20-6
AC-HIS-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
NameAC-HIS-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
1Identification
【Name】
AC-HIS-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
【CAS】
【MDL】
MFCD00167684
【English Synonyms】
【Formula】
C46 H66 N14 O9 S
【MolWeight】
991.182
【Inchi】
InChI=1S/C46H66N14O9S/c1-24(2)14-34(43(66)57-33(40(47)63)12-13-70-7)58-45(68)37(17-30-20-49-23-53-30)56-38(62)21-51-46(69)39(25(3)4)60-41(64)26(5)54-42(65)35(15-28-18-50-32-11-9-8-10-31(28)32)59-44(67)36(55-27(6)61)16-29-19-48-22-52-29/h8-11,18-20,22-26,33-37,39,50H,12-17,21H2,1-7H3,(H2,47,63)(H,48,52)(H,49,53)(H,51,69)(H,54,65)(H,55,61)(H,56,62)(H,57,66)(H,58,68)(H,59,67)(H,60,64)/t26-,33-,34-,35-,36-,37-,39-/m0/s1
【InChIKey】
InChIKey=PESSCGOLEUORDO-IFIOYJEKSA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)C
【MOL File】
AC-HIS-TRP-ALA-VAL-G….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:12
H bond acceptor:23
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AC-HIS-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2.cml