1006592-45-5
(3AS,4S,6AR)-HEXAHYDRO-2-OXO-N-(15-OXO-3,6,9,12-TETRAOXA-16-AZANONADEC-18-YN-1-YL)-1H-THIENO[3,4-D]IMIDAZOLE-4-PENTANAMIDE
Name(3AS,4S,6AR)-HEXAHYDRO-2-OXO-N-(15-OXO-3,6,9,12-TETRAOXA-16-AZANONADEC-18-YN-1-YL)-1H-THIENO[3,4-D]IMIDAZOLE-4-PENTANAMIDE
1Identification
【Name】
(3AS,4S,6AR)-HEXAHYDRO-2-OXO-N-(15-OXO-3,6,9,12-TETRAOXA-16-AZANONADEC-18-YN-1-YL)-1H-THIENO[3,4-D]IMIDAZOLE-4-PENTANAMIDE
【CAS】
【MDL】
MFCD16621136
【English Synonyms】
【Formula】
C24 H40 N4 O7 S
【MolWeight】
528.667
【Inchi】
InChI=1S/C24H40N4O7S/c1-2-8-25-22(30)7-10-32-12-14-34-16-17-35-15-13-33-11-9-26-21(29)6-4-3-5-20-23-19(18-36-20)27-24(31)28-23/h1,19-20,23H,3-18H2,(H,25,30)(H,26,29)(H2,27,28,31)/t19-,20-,23-/m0/s1
【InChIKey】
InChIKey=YJLJWRIKUZDUPV-JTAQYXEDSA-N
【SMILES】
C#CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
【MOL File】
(3AS,4S,6AR)-HEXAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AS,4S,6AR)-HEXAHYDRO-2-OXO-N-(15-OXO-3,6,9,12-TETRAOXA-16-AZANONADEC-18-YN-1-YL)-1H-THIENO[3,4-D]IMIDAZOLE-4-PENTANAMIDE.cml