59068-47-2
N-ALPHA-BENZOYL-L-ISOLEUCYL-L-GLUTAMYL-GLYCYL-L-ARGININE-4-NITROANILIDE
NameN-ALPHA-BENZOYL-L-ISOLEUCYL-L-GLUTAMYL-GLYCYL-L-ARGININE-4-NITROANILIDE
1Identification
【Name】
N-ALPHA-BENZOYL-L-ISOLEUCYL-L-GLUTAMYL-GLYCYL-L-ARGININE-4-NITROANILIDE
【CAS】
【MDL】
MFCD03490518
【English Synonyms】
【Formula】
C32 H43 N9 O9
【MolWeight】
697.746
【Inchi】
InChI=1S/C32H43N9O9/c1-3-19(2)27(40-28(45)20-8-5-4-6-9-20)31(48)39-24(15-16-26(43)44)29(46)36-18-25(42)38-23(10-7-17-35-32(33)34)30(47)37-21-11-13-22(14-12-21)41(49)50/h4-6,8-9,11-14,19,23-24,27H,3,7,10,15-18H2,1-2H3,(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,40,45)(H,43,44)(H4,33,34,35)/t19-,23-,24-,27-/m0/s1
【InChIKey】
InChIKey=ZYECEUZMVSGTMR-LBDWYMBGSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)c2ccccc2
【MOL File】
N-ALPHA-BENZOYL-L-IS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:9
H bond acceptor:18
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
N-ALPHA-BENZOYL-L-ISOLEUCYL-L-GLUTAMYL-GLYCYL-L-ARGININE-4-NITROANILIDE.cml