L-Alanyl-3-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-Butanyl]-4-Oxo-2-Oxetanyl}Carbonyl)Amino]Cyclopropyl}-L-Alanine

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Properties Simple | Detailed

Formula C17H27N3O6
IUPAC Name (2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-[(1s,2s)-2-[[(2r,3s)-3-[(1s)-1-methylpropyl]-4-oxo-oxetane-2-carbonyl]amino]cyclopropyl]propanoic acid
Molecular Mass 369.413 g·mol−1
Heat of Formation -986.2 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 461.11 Å 3
Surface Area 363.92 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
InChIKey ZSYIAUXMQLVKIL-BLTCOFLISA-N
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