9-{Hydroxy[(5S,6R)-6-Hydroxy-6-({(2S)-4-[(1-Hydroxy-2-Oxo-3-Azepanyl)Amino]-4-Oxo-2-Butanyl}Oxy)-5-({[(4S)-2-(2-Hydroxyphenyl)-4,5-Dihydro-1,3-Oxazol-4-Yl]Carbonyl}Amino)Hexyl]Amino}-9-Oxononanoic Acid

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Properties Simple | Detailed

Formula C35H53N5O12
IUPAC Name 9-[hydroxy-[(5s,6r)-6-hydroxy-6-[(1s)-3-[[(3s)-1-hydroxy-2-oxo-azepan-3-yl]amino]-1-methyl-3-oxo-propoxy]-5-[[(4s)-2-(2-hydroxyphenyl)-4,5-dihydrooxazole-4-carbonyl]amino]hexyl]amino]-9-oxo-nonanoic acid
Molecular Mass 735.822 g·mol−1
Heat of Formation -2078.4 ± 16.7 kJ·mol−1
Dipole Moment 9.08 ± 1.08 D
Volume 895.35 Å 3
Surface Area 745.63 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey IAYIKQLBDQWIRR-QMSOLXAJSA-N
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