(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hex-2-Ylidene]-2-{[(1Z)-1-Hydroxy-3-Oxo-1-Buten-2-Yl]Amino}-2-Oxoethyl]Amino}-1-[(2S)-2-Methyl-2-Oxiranyl]-2-Oxoethyl 3-Methoxy-5-Methyl-1-Naphthoate

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Properties Simple | Detailed

Formula C31H33N3O11
IUPAC Name [(1r)-2-[[(1e)-1-[(1s,3s,4s,5s)-3-acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-[[(1e)-1-(hydroxymethylene)-2-oxo-propyl]amino]-2-oxo-ethyl]amino]-1-[(2s)-2-methyloxiran-2-yl]-2-oxo-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate
Molecular Mass 623.607 g·mol−1
Heat of Formation -1364.2 ± 16.7 kJ·mol−1
Dipole Moment 11.43 ± 1.08 D
Volume 731.29 Å 3
Surface Area 546.22 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey QIKVYJOCQXXRSJ-POVXEKKCSA-N
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