Enviomycin

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Formula C25H43N13O10
IUPAC Name (3r,4r)-3,6-diamino-n-[(3s,6z,9s,12s,15s)-3-[(6r)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxy-hexanamide
Molecular Mass 685.690 g·mol−1
Heat of Formation -1743.1 ± 16.7 kJ·mol−1
Dipole Moment 10.53 ± 1.08 D
Volume 786.92 Å 3
Surface Area 605.76 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-3,6-diamino-n-[(3s,6z,9s,12s,15s)-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2,5,8,11,14-pentaketo-9,12-dimethylol-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxy-hexanamide
  • (3r,4r)-3,6-diamino-n-[(3s,6z,9s,12s,15s)-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
  • (3r,4r)-3,6-diamino-n-[(3s,6z,9s,12s,15s)-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxy-hexanamide
  • (3r,4r)-3,6-diamino-n-[(3s,6z,9s,12s,15s)-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
  • (3r,4r)-3,6-diamino-n-[(3s,6z,9s,12s,15s)-6-[(aminocarbonylamino)methylidene]-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxy-hexanamide
InChIKey HPWIIERXAFODPP-GHBBWTPBSA-N
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