208940-40-3
AC-ASP-D-GLA-LEU-ILE-BETA-CYCLOHEXYL-ALA-CYS-OH
NameAC-ASP-D-GLA-LEU-ILE-BETA-CYCLOHEXYL-ALA-CYS-OH
1Identification
【Name】
AC-ASP-D-GLA-LEU-ILE-BETA-CYCLOHEXYL-ALA-CYS-OH
【CAS】
【MDL】
MFCD02259688
【English Synonyms】
【Formula】
C36 H58 N6 O14 S
【MolWeight】
830.948
【Inchi】
InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1
【InChIKey】
InChIKey=XKYQOVYBVHBDGP-XKQRCBBTSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
【MOL File】
AC-ASP-D-GLA-LEU-ILE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:10
H bond acceptor:20
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AC-ASP-D-GLA-LEU-ILE-BETA-CYCLOHEXYL-ALA-CYS-OH.cml