1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)tert-leucinyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxo-8,11-dioxo(14)paracyclophane
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1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)tert-leucinyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxo-8,11-dioxo(14)paracyclophane
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CAS No:
180968-42-7
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Formula:
C41H55N5O8
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Chemical Name:
1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)tert-leucinyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxo-8,11-dioxo(14)paracyclophane
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Synonyms:
180968-42-7;1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)tert-leucinyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxo-8,11-dioxo(14)paracyclophane;1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv.;CHEMBL113560;DTXSID70171054;1'S,2'S,2"S,9S,12R)-12-[2"-[[N-[(Benzyloxy)carbonyl]tert-leucinyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxo-8,11-dioxo[14]paracyclophane;benzyl N-[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-2-[(4R,7S)-7-isopropyl-5,8-dioxo-12,15-dioxa-3,6,9-triazabicyclo[14.2.2]icosa-1(19),16(20),17-trien-4-yl]ethyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
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CAS No:
1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)tert-leucinyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxo-8,11-dioxo(14)paracyclophane Basic Attributes
745.9 g/mol
745.40506373 g/mol
DTXSID70171054
Computed Properties
Molecular Weight:745.9
XLogP3:5.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:745.40506373
Monoisotopic Mass:745.40506373
Topological Polar Surface Area:176
Heavy Atom Count:54
Complexity:1160
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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