6-Methoxy-5-({(3S)-3-[(N-Methyl-L-Alanyl)Amino]-4-Oxo-2',3,3',4,5',6'-Hexahydro-5H-Spiro[1,5-Benzoxazepine-2,4'-Pyran]-5-Yl}Methyl)-2-Naphthoic Acid

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Properties Simple | Detailed

Formula C30H33N3O7
IUPAC Name 6-methoxy-5-[[(3s)-3-[[(2s)-2-(methylamino)propanoyl]amino]-4-oxo-spiro[3h-1,5-benzoxazepine-2,4'-tetrahydropyran]-5-yl]methyl]naphthalene-2-carboxylic acid
Molecular Mass 547.599 g·mol−1
Heat of Formation -987.5 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 636.05 Å 3
Surface Area 453.61 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey PXBQMHIHZVFKSD-HFJWLAOPSA-N
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