160534-05-4
ETHOXYCARBONYL-ALA-TYR-VAL-ALA-ASP-ALDEHYDE (PSEUDO ACID)
NameETHOXYCARBONYL-ALA-TYR-VAL-ALA-ASP-ALDEHYDE (PSEUDO ACID)
1Identification
【Name】
ETHOXYCARBONYL-ALA-TYR-VAL-ALA-ASP-ALDEHYDE (PSEUDO ACID)
【CAS】
【MDL】
MFCD02259678
【English Synonyms】
【Formula】
C27 H39 N5 O10
【MolWeight】
593.63
【Inchi】
InChI=1S/C27H39N5O10/c1-6-42-27(41)29-16(5)24(38)31-20(11-17-7-9-19(34)10-8-17)25(39)32-22(14(2)3)26(40)28-15(4)23(37)30-18(13-33)12-21(35)36/h7-10,13-16,18,20,22,34H,6,11-12H2,1-5H3,(H,28,40)(H,29,41)(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t15-,16-,18-,20-,22-/m0/s1
【InChIKey】
InChIKey=DHVHHMIQWMTBTK-JCUDMVTESA-N
【SMILES】
CCOC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C=O
【MOL File】
ETHOXYCARBONYL-ALA-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:15
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHOXYCARBONYL-ALA-TYR-VAL-ALA-ASP-ALDEHYDE (PSEUDO ACID).cml