Ethyl (5S,8S,11R)-8-Benzyl-5-{2-[(2-Methyl-2-Propanyl)Oxy]-2-Oxoethyl}-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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Formula C36H48N4O9
IUPAC Name ethyl (4r)-4-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
Molecular Mass 680.788 g·mol−1
Heat of Formation -1716.2 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 839.47 Å 3
Surface Area 651.81 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
InChIKey DAQSBCFYXOITIO-CRNKYVSFSA-N
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