(3R)-4-{[(2-Aminoethyl)Carbamoyl]Oxy}-N-(2-Formyl-3-Indolizinyl)-3-Sulfino-D-Valine

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Formula C17H31N4O7S+
IUPAC Name 2-[(2-formyl-5,6,7,8-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]acetic acid; hydron; 3-hydroxysulfanylprop-1-ynyl n-(2-aminoethyl)carbamate; hydrate
Molecular Mass 437.532 g·mol−1
Heat of Formation -766.3 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 501.27 Å 3
Surface Area 403.89 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey UGXGYKKZKHIUJW-GUYCJALGSA-N
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