(1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane
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(1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane
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CAS No:
180967-88-8
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Formula:
C40H53N5O8
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Chemical Name:
(1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane
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Synonyms:
180967-88-8;(1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane;1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.;CHEMBL320800;DTXSID00171042;benzyl N-[(2S)-1-[[(1R,2S)-1-[(4R,7S)-5,8-dioxo-7-propan-2-yl-12,15-dioxa-3,6,9-triazabicyclo[14.2.2]icosa-1(18),16,19-trien-4-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;1'S,2'S,2"S,9S,12R)-12-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-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-methyl-propyl]carbamate
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CAS No:
(1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane Basic Attributes
731.9 g/mol
731.38941367 g/mol
DTXSID00171042
Computed Properties
Molecular Weight:731.9
XLogP3:4.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:731.38941367
Monoisotopic Mass:731.38941367
Topological Polar Surface Area:176
Heavy Atom Count:53
Complexity:1120
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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