3-[14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide
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3-[14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide
structure -
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CAS No:
151911-04-5
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Formula:
C43H60N8O6
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Chemical Name:
3-[14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide
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Synonyms:
cyclo(Leu-psi(CH2NH)-Cha-Gln-Trp-Phe-beta-Ala);MEN 10612;MEN-10,612;MEN-10612;151911-04-5;Men 10612;MEN-10612;Men-10,612;MEN 10,612;Cyclo(leu-psi(CH2NH)-cha-gln-trp-phe-beta-ala);DTXSID60934372;L010022;3-[14-Benzyl-5-(cyclohexylmethyl)-6,9,12,15,19-pentahydroxy-11-[(1H-indol-3-yl)methyl]-2-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclononadeca-6,9,12,15,19-pentaen-8-yl]propanimidic acid;beta-Alanine, N-(2-amino-4-methylpentyl)-3-cyclohexyl-L-alanyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, cyclic (5-1)-peptide, (S)-;Cyclo(3-cyclohexyl-L-alanyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-beta-alanyl-L-leucyl-psi(CH2-NH))
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CAS No:
3-[14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide Basic Attributes
785.0 g/mol
784.46358166 g/mol
Computed Properties
Molecular Weight:785.0
XLogP3:4.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:784.46358166
Monoisotopic Mass:784.46358166
Topological Polar Surface Area:216
Heavy Atom Count:57
Complexity:1350
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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