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
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Synonyms
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- (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
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InChIKey |
WEPSNLBXXUYQJF-LQXCWRENSA-N |
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