Catalog Number:
AG008TFP
Chemical Name:
Eg00229
CAS Number:
1210945-69-9
Molecular Formula:
C19H20F3N7O7S3
Molecular Weight:
611.5950
MDL Number:
MFCD28167995
IUPAC Name:
(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C17H19N7O5S3.C2HF3O2/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9;3-2(4,5)1(6)7/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20);(H,6,7)/t11-;/m0./s1
InChI Key:
ZYQBITUOSRZDTG-MERQFXBCSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2)CCCN=C(N)N
