850411-17-5
(S)-3-[2-(3-BROMO-PHENYL)-2-OXO-ETHYLSULFANYL]-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID METHYL ESTER
Name(S)-3-[2-(3-BROMO-PHENYL)-2-OXO-ETHYLSULFANYL]-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID METHYL ESTER
1Identification
【Name】
(S)-3-[2-(3-BROMO-PHENYL)-2-OXO-ETHYLSULFANYL]-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09834573
【English Synonyms】
【Formula】
C17 H22 Br N O5 S
【MolWeight】
432.333
【Inchi】
InChI=1S/C17H22BrNO5S/c1-17(2,3)24-16(22)19-13(15(21)23-4)9-25-10-14(20)11-6-5-7-12(18)8-11/h5-8,13H,9-10H2,1-4H3,(H,19,22)/t13-/m1/s1
【InChIKey】
InChIKey=IMAGOBBBBPTLLO-CYBMUJFWSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H](CSCC(=O)c1cccc(c1)Br)C(=O)OC
【MOL File】
(S)-3-[2-(3-BROMO-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-3-[2-(3-BROMO-PHENYL)-2-OXO-ETHYLSULFANYL]-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID METHYL ESTER.cml