191226-98-9
TERT-BUTYL [(1S,2R)-1-BENZYL-2-HYDROXY-3-[ISOBUTYL[(4-NITROPHENYL)SULFONYL]AMINO]PROPYL]CARBAMATE
NameTERT-BUTYL [(1S,2R)-1-BENZYL-2-HYDROXY-3-[ISOBUTYL[(4-NITROPHENYL)SULFONYL]AMINO]PROPYL]CARBAMATE
1Identification
【Name】
TERT-BUTYL [(1S,2R)-1-BENZYL-2-HYDROXY-3-[ISOBUTYL[(4-NITROPHENYL)SULFONYL]AMINO]PROPYL]CARBAMATE
【CAS】
【MDL】
MFCD07367694
【English Synonyms】
【Formula】
C25 H35 N3 O7 S
【MolWeight】
521.631
【Inchi】
InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1
【InChIKey】
InChIKey=CQGKCZKCWMWXQP-XZOQPEGZSA-N
【SMILES】
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]
【MOL File】
TERT-BUTYL [(1S,2R)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL [(1S,2R)-1-BENZYL-2-HYDROXY-3-[ISOBUTYL[(4-NITROPHENYL)SULFONYL]AMINO]PROPYL]CARBAMATE.cml