(9Z)-11-{Hydroxy[(5S)-6-{[(2S)-4-{[(3S)-1-Hydroxy-2-Oxo-3-Azepanyl]Amino}-4-Oxo-2-Butanyl]Oxy}-5-({[(4S)-2-(2-Hydroxyphenyl)-4,5-Dihydro-1,3-Oxazol-4-Yl]Carbonyl}Amino)-6-Oxohexyl]Amino}-11-Oxo-9-Undecenoic Acid

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Properties Simple | Detailed

Formula C37H53N5O12
IUPAC Name (z)-11-[hydroxy-[(5s)-6-[(1s)-3-[[(3s)-1-hydroxy-2-oxo-azepan-3-yl]amino]-1-methyl-3-oxo-propoxy]-5-[[(4s)-2-(2-hydroxyphenyl)-4,5-dihydrooxazole-4-carbonyl]amino]-6-oxo-hexyl]amino]-11-oxo-undec-9-enoic acid
Molecular Mass 759.843 g·mol−1
Heat of Formation -1930.0 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 937.53 Å 3
Surface Area 774.67 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey DRNVRDPDTBNRNR-SFCJKLQFSA-N
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