L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[3-methyl-1-[(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl]butyl]-, monohydrochloride, (S)- (9CI)
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![L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[3-methyl-1-[(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl]butyl]-, monohydrochloride, (S)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7e98aa2a246b49318a51a18a6d245a17.png "L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[3-methyl-1-[(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl]butyl]-, monohydrochloride, (S)- (9CI)")
L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[3-methyl-1-[(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl]butyl]-, monohydrochloride, (S)- (9CI)
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CAS No:
145594-21-4
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Formula:
C43H59ClN6O10
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Chemical Name:
L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[3-methyl-1-[(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl]butyl]-, monohydrochloride, (S)- (9CI)
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CAS No:
L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[3-methyl-1-[(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl]butyl]-, monohydrochloride, (S)- (9CI) Basic Attributes
855.41600
854.3981198
DTXSID40163103
Computed Properties
Molecular Weight:855.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:15
Exact Mass:854.3981198
Monoisotopic Mass:854.3981198
Topological Polar Surface Area:220
Heavy Atom Count:60
Complexity:1270
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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