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100822-41-1 (2s,3s,9s)-3-{[(2s,3r)-6-amino-2-({(2s)-5,5-dichloro-2-[(dihydroxyacetyl)amino]-4-methyl

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Product Name (2S,3S,9S)-3-{[(2S,3R)-6-amino-2-({(2S)-5,5-dichloro-2-[(dihydroxyacetyl)amino]-4-methylpentanoyl}amino)-3-hydroxyhexanoyl]amino}-6-(chloromethylidene)-12-hydroxy-4,7,11-trioxo-2-(propan-2-yl)-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[k][1,5,8]oxa
CAS No. 100822-41-1
Synonyms (2S,9S)-3-{[(1S,2S)-5-amino-1-({(2S)-5,5-dichloro-2-[(dihydroxyacetyl)amino]-4-methylpentanoyl}carbamoyl)-2-hydroxypentyl]amino}-6-(chloromethylidene)-12-hydroxy-2-(1-methylethyl)-4,7,11-trioxo-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[k][1,5,8]oxadiazacyclododecine-9-carboxylic acid (non-preferred name)
InChI InChI=1/C31H45Cl3N6O13/c1-11(2)23-21(28(47)38-16(10-32)26(45)37-15(30(49)50)8-13-19(53-23)9-18(42)22(13)43)39-20(17(41)5-4-6-35)27(46)40-25(44)14(7-12(3)24(33)34)36-29(48)31(51)52/h10-12,14-15,17-18,20-21,23-24,31,39,41-42,51-52H,4-9,35H2,1-3H3,(H,36,48)(H,37,45)(H,38,47)(H,49,50)(H,40,44,46)/b16-10-/t12?,14-,15-,17-,18?,20-,21?,23-/m0/s1
Molecular Formula C31H45Cl3N6O13
Molecular Weight 816.0804
Density 1.52g/cm3
Boiling point 1170.6°C at 760 mmHg
Flash point 661.8°C
Refractive index 1.617