(3R)-N-(7-Carbamoyl-2-Formyl-3-Indolizinyl)-4-(Carbamoyloxy)-3-Sulfino-D-Valine

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Formula C16H27N4O8S+
IUPAC Name 2-[(7-carbamoyl-2-formyl-1,5,6,8-tetrahydroindolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]-4-carbamoyloxy-3-methyl-3-sulfino-butanoic acid
Molecular Mass 435.473 g·mol−1
Heat of Formation -1153.7 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 456.52 Å 3
Surface Area 377.8 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey WVRCRSIVCWLCEG-ZBEGNZNMSA-N
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