Saframycin Yd1

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Formula C30H35N5O7
IUPAC Name 2-amino-n-{[(2s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}butanamide
Molecular Mass 577.628 g·mol−1
Heat of Formation -690.3 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 667.32 Å 3
Surface Area 514.79 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
InChIKey GTEZNZCFRJDWFN-NTMURZLJSA-N
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