(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-Methoxy-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-6-Methyl-2,4,6-Nonatrienoyl}-3-Methyl-L-Valyl)Amino]-1,6-Octadien-4-Yl Carbamate

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Properties Simple | Detailed

Formula C31H45N3O7
IUPAC Name [(z,1s)-1-[(z)-3-[[(2s)-2-[[(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methyl-nona-2,4,6-trienoyl]amino]-3,3-dimethyl-butanoyl]amino]allyl]pent-3-enyl] carbamate
Molecular Mass 571.705 g·mol−1
Heat of Formation -1133.1 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 732.21 Å 3
Surface Area 601.93 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey IEKGSKLKBICCHQ-BDOJOPHNSA-N
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