516521-47-4
(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-[4-(2-METHYLPHENYL)PHENYL]PROPANOIC ACID
Name(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-[4-(2-METHYLPHENYL)PHENYL]PROPANOIC ACID
1Identification
【Name】
(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-[4-(2-METHYLPHENYL)PHENYL]PROPANOIC ACID
【CAS】
【MDL】
MFCD09264365
【English Synonyms】
【Formula】
C21 H25 N O4
【MolWeight】
355.431
【Inchi】
InChI=1S/C21H25NO4/c1-14-7-5-6-8-17(14)16-11-9-15(10-12-16)13-18(19(23)24)22-20(25)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1
【InChIKey】
InChIKey=WZYJCLIFAJVGLW-SFHVURJKSA-N
【SMILES】
Cc1ccccc1c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
【MOL File】
(2S)-2-[(TERT-BUTOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-[4-(2-METHYLPHENYL)PHENYL]PROPANOIC ACID.cml