156251-11-5
ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL
NameALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL
FormulaC37 H67 N9 O11 . C2 H4 O2
1Identification
【Name】
ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL
【CAS】
【MDL】
MFCD01318802
【English Synonyms】
【Formula】
C37 H67 N9 O11 . C2 H4 O2
【MolWeight】
874.04
【Inchi】
InChI=1S/C37H67N9O11.C2H4O2/c1-12-19(7)28(43-25(48)15-39-32(51)22(10)41-31(50)21(9)38)34(53)40-16-26(49)44-29(20(8)13-2)35(54)42-24(14-17(3)4)33(52)46-30(23(11)47)36(55)45-27(18(5)6)37(56)57;1-2(3)4/h17-24,27-30,47H,12-16,38H2,1-11H3,(H,39,51)(H,40,53)(H,41,50)(H,42,54)(H,43,48)(H,44,49)(H,45,55)(H,46,52)(H,56,57);1H3,(H,3,4)/t19-,20-,21-,22-,23+,24-,27-,28-,29-,30-;/m0./s1
【InChIKey】
InChIKey=DJBCPXAFOLJFOX-HADYAWPXSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)N.CC(=O)O
【MOL File】
ALA-ALA-GLY-ILE-GLY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:11
H bond acceptor:20
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL.cml