UNII-398F0EG823
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UNII-398F0EG823
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CAS No:
119719-11-8
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Formula:
C61H86N10O20S2
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Chemical Name:
UNII-398F0EG823
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Synonyms:
SDZ CO 611;SDZ CO-611;Ilatreotide;119719-11-8;Ilatreotide [INN];UNII-398F0EG823;Sdz CO 611;SCHEMBL2111506;SDZ CO-611;CHEMBL2104390;398F0EG823;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy;L-Cysteinamide, N-(1-deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cycli (2-7)-disulfide, (R-(R*,R*))-;L-Cysteinamide, N-(1-deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide, (R-(R*,R*))-;N-(1-Deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2->7)-disulfide;N-(1-Deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide
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CAS No:
Computed Properties
Molecular Weight:1343.5
XLogP3:-2.5
Hydrogen Bond Donor Count:20
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:23
Exact Mass:1342.54612752
Monoisotopic Mass:1342.54612752
Topological Polar Surface Area:538
Heavy Atom Count:93
Complexity:2410
Defined Atom Stereocenter Count:19
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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