61270-71-1
(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
Name(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
1Identification
【Name】
(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13194813
【English Synonyms】
【Formula】
C10 H12 N6 O6 S3
【MolWeight】
408.439
【Inchi】
InChI=1S/C10H12N6O6S3/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22)/t5-,8-/m1/s1
【InChIKey】
InChIKey=ATMROFNURATUIQ-SVGQVSJJSA-N
【SMILES】
C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)CSc3nnnn3CS(=O)(=O)O
【MOL File】
(6R-TRANS)-7-AMINO-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:12
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID.cml