Ethyl (5S,8S,11R)-8-Benzyl-5-{3-[(2-Methyl-2-Propanyl)Oxy]-3-Oxopropyl}-3,6,9-Trioxo-11-{[(3S)-2-Oxo-3-Pyrrolidinyl]Methyl}-1-Phenyl-2-Oxa-4,7,10-Triazatetradecan-14-Oate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C37H50N4O9
IUPAC Name tert-butyl (4s)-5-[[(1s)-1-benzyl-2-[[(1r)-4-ethoxy-4-oxo-1-[[(3s)-2-oxopyrrolidin-3-yl]methyl]butyl]amino]-2-oxo-ethyl]amino]-4-(benzyloxycarbonylamino)-5-oxo-pentanoate
Molecular Mass 694.814 g·mol−1
Heat of Formation -1715.1 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 863.47 Å 3
Surface Area 701.7 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
InChIKey MMMLJIROCXIHMV-XJYHXZFBSA-N
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