94773-24-7
VAL-GLU-PRO-ILE-PRO-TYR
NameVAL-GLU-PRO-ILE-PRO-TYR
1Identification
【Name】
VAL-GLU-PRO-ILE-PRO-TYR
【CAS】
【MDL】
MFCD00081014
【English Synonyms】
【Formula】
C35 H52 N6 O10
【MolWeight】
716.828
【Inchi】
InChI=1S/C35H52N6O10/c1-5-20(4)29(34(49)41-17-7-8-25(41)30(45)38-24(35(50)51)18-21-10-12-22(42)13-11-21)39-31(46)26-9-6-16-40(26)33(48)23(14-15-27(43)44)37-32(47)28(36)19(2)3/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23-,24-,25-,26-,28-,29-/m0/s1
【InChIKey】
InChIKey=ZQOILFFBJUNGRA-NMVUUJPQSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N
【MOL File】
VAL-GLU-PRO-ILE-PRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:16
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VAL-GLU-PRO-ILE-PRO-TYR.cml