Catalog Number:
AG008TLZ
Chemical Name:
Exherin trifluoroacetate
CAS Number:
1135237-88-5
Molecular Formula:
C24H35F3N8O8S2
Molecular Weight:
684.7087
MDL Number:
MFCD28385864
IUPAC Name:
(4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C22H34N8O6S2.C2HF3O2/c1-10(2)17-22(36)29-15(18(23)32)7-37-38-8-16(27-12(4)31)21(35)28-14(5-13-6-24-9-25-13)20(34)26-11(3)19(33)30-17;3-2(4,5)1(6)7/h6,9-11,14-17H,5,7-8H2,1-4H3,(H2,23,32)(H,24,25)(H,26,34)(H,27,31)(H,28,35)(H,29,36)(H,30,33);(H,6,7)/t11-,14-,15-,16-,17-;/m0./s1
InChI Key:
RMLOJFSXNMROLS-BMLUHVGESA-N
SMILES:
OC(=O)C(F)(F)F.CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1cnc[nH]1)C)C(C)C)C(=O)N
UNII:
4OJ57R316O
NSC Number:
729477
