Ethyl (4R)-4-({(2S)-2-[3-{[(5-Methyl-1,2-Oxazol-3-Yl)Carbonyl]Amino}-2-Oxo-1(2H)-Pyridinyl]-4-Pentynoyl}Amino)-5-[(3S)-2-Oxo-3-Pyrrolidinyl]Pentanoate

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Properties Simple | Detailed

Formula C26H31N5O7+
IUPAC Name ethyl (4r)-4-[[(2s)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-pyridin-1-ium-3-ylium-1-yl]pent-4-ynoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
Molecular Mass 525.554 g·mol−1
Heat of Formation -772.6 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 617.57 Å 3
Surface Area 536.91 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey WVFVHUYBPRBKRA-UEXGIBASSA-N
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