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ChemSpider 2D Image | (3R)-3,6-Diamino-N-{[(2S,5S,8Z)-15-amino-11-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]meth yl}hexanamide - (3R)-3,6-diamino-N-({(2S,5S,8Z)-15-amino-11-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5- yl}methyl)hexanamide (1:1) | C50H88N28O15

(3R)-3,6-Diamino-N-{[(2S,5S,8Z)-15-amino-11-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]meth yl}hexanamide - (3R)-3,6-diamino-N-({(2S,5S,8Z)-15-amino-11-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5- yl}methyl)hexanamide (1:1)

  • Molecular FormulaC50H88N28O15
  • Average mass1321.412 Da
  • Monoisotopic mass1320.698364 Da
  • ChemSpider ID21106276

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 6 defined stereocentres

More details:

Date of deprecation: 10:29, Dec 21, 2015
Reason for deprecation: Deprecate record: 3 undefined stereocenters on each structure

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-3,6-Diamino-N-{[(2S,5S,8Z)-15-amino-11-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylen]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methy l}hexanamid --(3R)-3,6-diamino-N-({(2S,5S,8Z)-15-amino-11-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylen]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl} methyl)hexanamid (1:1) [German] [ACD/IUPAC Name]
(3R)-3,6-Diamino-N-{[(2S,5S,8Z)-15-amino-11-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]meth yl}hexanamide - (3R)-3,6-diamino-N-({(2S,5S,8Z)-15-amino-11-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-8-[(carbamoylamino)methylene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5- yl}methyl)hexanamide (1:1) [ACD/IUPAC Name]
(3R)-3,6-Diamino-N-{[(2S,5S,8Z)-15-amino-11-(2-amino-1,4,5,6-tétrahydro-4-pyrimidinyl)-8-[(carbamoylamino)méthylène]-2-(hydroxyméthyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadécan-5-yl]méth yl}hexanamide - (3R)-3,6-diamino-N-({(2S,5S,8Z)-15-amino-11-(2-amino-3,4,5,6-tétrahydro-4-pyrimidinyl)-8-[(carbamoylamino)méthylène]-2-méthyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadécan-5- yl}méthyl)hexanamide (1:1) [French] [ACD/IUPAC Name]
Hexanamide, 3,6-diamino-N-[[(2S,5S,8Z)-15-amino-8-[[(aminocarbonyl)amino]methylene]-11-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexade c-5-yl]methyl]-, (3R)-, compd. with (3R)-3,6-diamino-N-[[(2S,5S,8Z)-15-amino-8-[[(aminocarbonyl)amino]methylene]-11-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13 -pentaazacyclohexadec-5-yl]methyl]hexanamide [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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