80895-10-9
N-METHOXYCARBONYL-D-CHA-GLY-ARG-4-NITROANILIDE ACETATE
NameN-METHOXYCARBONYL-D-CHA-GLY-ARG-4-NITROANILIDE ACETATE
FormulaC25 H38 N8 O7 . C2 H4 O2
1Identification
【Name】
N-METHOXYCARBONYL-D-CHA-GLY-ARG-4-NITROANILIDE ACETATE
【CAS】
【MDL】
MFCD03791099
【English Synonyms】
【Formula】
C25 H38 N8 O7 . C2 H4 O2
【MolWeight】
622.676
【Inchi】
InChI=1S/C25H38N8O7.C2H4O2/c1-40-25(37)32-20(14-16-6-3-2-4-7-16)22(35)29-15-21(34)31-19(8-5-13-28-24(26)27)23(36)30-17-9-11-18(12-10-17)33(38)39;1-2(3)4/h9-12,16,19-20H,2-8,13-15H2,1H3,(H,29,35)(H,30,36)(H,31,34)(H,32,37)(H4,26,27,28);1H3,(H,3,4)/t19-,20+;/m0./s1
【InChIKey】
InChIKey=QXWRKXQCMBOLJR-CMXBXVFLSA-N
【SMILES】
CC(=O)O.COC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc(cc2)[N+](=O)[O-]
【MOL File】
N-METHOXYCARBONYL-D-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:15
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHOXYCARBONYL-D-CHA-GLY-ARG-4-NITROANILIDE ACETATE.cml