(2R,6S,7R)-6-Amino-2-({3-Amino-N-[(2S)-3-{[(3S)-3-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino}-2-Hydroxypropanoyl]-L-Alanyl}Amino)-9-({2-[(3-{[(5Z)-5-Amino-5-Iminopentyl]Amino}Propyl)Amino]-2-Oxoethyl}Amino)-7-Hydroxy-9-Oxononanoic Acid

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Properties Simple | Detailed

Formula C34H59N11O10
IUPAC Name (2r,6s,7r)-6-amino-2-[[(2s)-3-amino-2-[[(2s)-3-[[(3s)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxy-propanoyl]amino]propanoyl]amino]-9-[[2-[3-[(5-amino-5-imino-pentyl)amino]propylamino]-2-oxo-ethyl]amino]-7-hydroxy-9-oxo-nonanoic acid
Molecular Mass 781.900 g·mol−1
Heat of Formation -1876.0 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 965.7 Å 3
Surface Area 855.09 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,6s,7r)-6-amino-2-[[(2s)-3-amino-2-[[(2s)-3-[[(3s)-3-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-9-[[2-[3-[(5-amino-5-iminopentyl)amino]propylamino]-2-oxoethyl]amino]-7-hydroxy-9-oxononanoic acid
  • (2r,6s,7r)-6-amino-2-[[(2s)-3-amino-2-[[(2s)-3-[[(3s)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxy-propanoyl]amino]propanoyl]amino]-9-[[2-[3-[(5-amino-5-imino-pentyl)amino]propylamino]-2-keto-ethyl]amino]-7-hydroxy-9-keto-pelargonic acid
  • (2r,6s,7r)-6-amino-2-[[(2s)-3-amino-2-[[(2s)-3-[[(3s)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxy-propanoyl]amino]propanoyl]amino]-9-[[2-[3-[(5-amino-5-imino-pentyl)amino]propylamino]-2-oxo-ethyl]amino]-7-hydroxy-9-oxo-nonanoic acid
  • (2r,6s,7r)-6-amino-2-[[(2s)-3-amino-2-[[(2s)-3-[[(3s)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxypropanoyl]amino]propanoyl]amino]-9-[[2-[3-[(5-amino-5-iminopentyl)amino]propylamino]-2-oxoethyl]amino]-7-hydroxy-9-oxononanoic acid
  • ede
  • edeine b
InChIKey WEPSNLBXXUYQJF-LQXCWRENSA-N
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