105802-84-4
H-PRO-LEU-SER-ARG-THR-LEU-SER-VAL-ALA-ALA-LYS-LYS-OH
NameH-PRO-LEU-SER-ARG-THR-LEU-SER-VAL-ALA-ALA-LYS-LYS-OH
1Identification
【Name】
H-PRO-LEU-SER-ARG-THR-LEU-SER-VAL-ALA-ALA-LYS-LYS-OH
【CAS】
【MDL】
MFCD00076725
【English Synonyms】
【Formula】
C56 H103 N17 O16
【MolWeight】
1270.53
【Inchi】
InChI=1S/C56H103N17O16/c1-28(2)24-38(68-46(79)34-18-14-22-61-34)49(82)70-40(26-74)51(84)66-36(19-15-23-62-56(59)60)48(81)73-43(33(9)76)54(87)69-39(25-29(3)4)50(83)71-41(27-75)52(85)72-42(30(5)6)53(86)64-31(7)44(77)63-32(8)45(78)65-35(16-10-12-20-57)47(80)67-37(55(88)89)17-11-13-21-58/h28-43,61,74-76H,10-27,57-58H2,1-9H3,(H,63,77)(H,64,86)(H,65,78)(H,66,84)(H,67,80)(H,68,79)(H,69,87)(H,70,82)(H,71,83)(H,72,85)(H,73,81)(H,88,89)(H4,59,60,62)/t31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
【InChIKey】
InChIKey=AATOURFPKKEISN-NHKXYLNPSA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]1CCCN1
【MOL File】
H-PRO-LEU-SER-ARG-TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:21
H bond acceptor:33
XLogP3:-6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
H-PRO-LEU-SER-ARG-THR-LEU-SER-VAL-ALA-ALA-LYS-LYS-OH.cml