(S)-M8-SPy


CAS No. : 1192364-56-9

(S)-M8-SPy,1192364-56-9
Product Details
Cat No:R052946
Synonyms:(α1S,α4S,α7S,2S,5S,8S,11S)-α1,α4,α7,2,5,8,11-Heptamethyl-10-[(1S)-1-methyl-2-oxo-2-[[2-(2-pyridinyldithio)ethyl]amino]ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid;
Molecular Formula:C31H52N6O7S2
Molecular Weight:684.912
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Cat No:R052946
Cas No:1192364-56-9
Product-Name:(S)-M8-SPy
IUPAC Name:(2S)-2-[(2S,5S,8S,11S)-7,10-bis[(1S)-1-carboxyethyl]-2,5,8,11-tetramethyl-4-[(2S)-1-oxo-1-[2-(pyridin-2-yldisulfanyl)ethylamino]propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
InChI:InChI=1S/C31H52N6O7S2/c1-19-16-35(24(6)29(39)40)21(3)18-37(26(8)31(43)44)22(4)17-36(25(7)30(41)42)20(2)15-34(19)23(5)28(38)33-13-14-45-46-27-11-9-10-12-32-27/h9-12,19-26H,13-18H2,1-8H3,(H,33,38)(H,39,40)(H,41,42)(H,43,44)/t19-,20-,21-,22-,23-,24-,25-,26-/m0/s1
InChIKey:BVEXZTXAUQXVNC-CAQMSIDYSA-N
SMILES:CC1CN(C(CN(C(CN(C(CN1C(C)C(=O)O)C)C(C)C(=O)O)C)C(C)C(=O)O)C)C(C)C(=O)NCCSSC2=CC=CC=N2
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