106021-96-9
VAL-GLN-GLY-GLU-GLU-SER-ASN-ASP-LYS
NameVAL-GLN-GLY-GLU-GLU-SER-ASN-ASP-LYS
1Identification
【Name】
VAL-GLN-GLY-GLU-GLU-SER-ASN-ASP-LYS
【CAS】
【MDL】
MFCD00076554
【English Synonyms】
【Formula】
C39 H64 N12 O19
【MolWeight】
1005.0
【Inchi】
InChI=1S/C39H64N12O19/c1-17(2)31(43)38(68)47-18(6-9-25(41)53)32(62)44-15-27(55)45-19(7-10-28(56)57)33(63)46-20(8-11-29(58)59)34(64)51-24(16-52)37(67)49-22(13-26(42)54)35(65)50-23(14-30(60)61)36(66)48-21(39(69)70)5-3-4-12-40/h17-24,31,52H,3-16,40,43H2,1-2H3,(H2,41,53)(H2,42,54)(H,44,62)(H,45,55)(H,46,63)(H,47,68)(H,48,66)(H,49,67)(H,50,65)(H,51,64)(H,56,57)(H,58,59)(H,60,61)(H,69,70)/t18-,19-,20-,21-,22-,23-,24-,31-/m0/s1
【InChIKey】
InChIKey=NIXBZDOQHRZFDR-OEWCNXHOSA-N
【SMILES】
CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N
【MOL File】
VAL-GLN-GLY-GLU-GLU-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:17
H bond acceptor:31
XLogP3:-9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
VAL-GLN-GLY-GLU-GLU-SER-ASN-ASP-LYS.cml