112028-91-8
DIPHENYLMETHYL 7BETA-TERT-BUTOXYCARBONYLAMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLATE
NameDIPHENYLMETHYL 7BETA-TERT-BUTOXYCARBONYLAMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLATE
FormulaC26 H27 Cl N2 O5 S
1Identification
【Name】
DIPHENYLMETHYL 7BETA-TERT-BUTOXYCARBONYLAMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLATE
【CAS】
【MDL】
MFCD09750954
【English Synonyms】
【Formula】
C26 H27 Cl N2 O5 S
【MolWeight】
515.027
【Inchi】
InChI=1S/C26H27ClN2O5S/c1-26(2,3)34-25(32)28-19-22(30)29-20(18(14-27)15-35-23(19)29)24(31)33-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19,21,23H,14-15H2,1-3H3,(H,28,32)/t19-,23-/m1/s1
【InChIKey】
InChIKey=SYRVNJKDYWWNHD-AUSIDOKSSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CCl)C(=O)OC(c3ccccc3)c4ccccc4
【MOL File】
DIPHENYLMETHYL 7BETA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
DIPHENYLMETHYL 7BETA-TERT-BUTOXYCARBONYLAMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLATE.cml