N-[(2R,3S)-1-Carbamimidoyl-2-Ethoxy-3-Piperidinyl]-6-Hydroxy-1-[(2R)-2-{[(2R)-2-Hydroxy-3-(4-Hydroxyphenyl)Propanoyl]Amino}-3-(4-Hydroxyphenyl)Propanoyl]Octahydro-1H-Indole-2-Carboxamide (Non-Preferred Name)

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Formula C35H48N6O8
IUPAC Name (2s,3ar,6r,7ar)-n-[(2r,3s)-1-carbamimidoyl-2-ethoxy-3-piperidyl]-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Molecular Mass 680.791 g·mol−1
Heat of Formation -1364.8 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 844.86 Å 3
Surface Area 604.53 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
InChIKey ZHFMOYWZDUNUOY-CNHFCMCTSA-N
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