57177-79-4
D-PHENYLALANINE, N-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-PROLYL]-, METHYL ESTER
NameD-PHENYLALANINE, N-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-PROLYL]-, METHYL ESTER
1Identification
【Name】
D-PHENYLALANINE, N-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-PROLYL]-, METHYL ESTER
【CAS】
【MDL】
MFCD20487733
【English Synonyms】
【Formula】
C20 H28 N2 O5
【MolWeight】
376.45
【Inchi】
InChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)22-12-8-11-16(22)17(23)21-15(18(24)26-4)13-14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,21,23)/t15-,16+/m1/s1
【InChIKey】
InChIKey=XYLTWJZHTZTSFD-CVEARBPZSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)OC
【MOL File】
D-PHENYLALANINE, N-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
D-PHENYLALANINE, N-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-PROLYL]-, METHYL ESTER.cml