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Home > Encyclopedia > benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate

benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate

benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate structure

benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate 

structure
  • CAS No:

    151911-03-4

  • Formula:

    C45H56N8O8

  • Chemical Name:

    benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate

benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate Basic Attributes

836.97500

836.42211077 g/mol

Characteristics

261.15000

4.67350

1.18g/cm3

1211.2ºC at 760mmHg

686.3ºC

1.555

0mmHg at 25°C

Drug Information

cyclo(Leu-psi(CH2NH)-Asp(OBzl)-Gln-Trp-Phe-beta-Ala)

Computed Properties

Molecular Weight:837.0
XLogP3:2.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:836.42211077
Monoisotopic Mass:836.42211077
Topological Polar Surface Area:243
Heavy Atom Count:61
Complexity:1480
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate

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