(1'S,2'S,2"S,9S,11R)-11-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]paracyclophane
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(1'S,2'S,2"S,9S,11R)-11-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]paracyclophane
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CAS No:
180968-27-8
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Formula:
C37H53N5O7
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Chemical Name:
(1'S,2'S,2"S,9S,11R)-11-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]paracyclophane
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Synonyms:
180968-27-8;(2S)-N-[(1S,2R)-3-[[(3S,6S)-4,7-dioxo-6-sec-butyl-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-2-hydroxy-1-[(4-hydroxyphenyl)methyl]propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5;Peptidomimetic inhibitor 5;BDBM13931;DTXSID50939396;(1'S,2'S,2''S,9S,11R)-11-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)paracyclophane;(2S)-N-[(2S,3R)-4-[[(3S,6S)-6-butan-2-yl-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;1OH-2(Cbz-ValNH)3PhPr [13]paracyclophane deriv.;(1'S,2'S,2"S,9S,11R)-11-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]paracyclophane;(2S)-N-[(2S,3R)-4-{[(8S,11S)-8-[(2R)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;(S)-N-[(1S,2R)-3-((8S,11S)-8-sec-Butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2-(2-oxo-pyrrolidin-1-yl)-butyramide;N-[4-{[8-(Butan-2-yl)-7,10-dihydroxy-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),6,9,13,16-pentaen-11-yl]amino}-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanimidic
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CAS No:
(1'S,2'S,2"S,9S,11R)-11-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]paracyclophane Basic Attributes
679.8 g/mol
679.39449905 g/mol
Computed Properties
Molecular Weight:679.8
XLogP3:4.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:679.39449905
Monoisotopic Mass:679.39449905
Topological Polar Surface Area:169
Heavy Atom Count:49
Complexity:1080
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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