N-[(2S)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-Amino-4-Methyl-1-Oxo-2-Pentanyl]Amino}-3-Chloro-1-Oxo-2-Propanyl]Amino}-3-Hydroxy-5-Oxo-1-Phenyl-2-Pentanyl]Amino}-3-Methyl-1-Oxo-2-Butanyl]-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C31H43ClN6O6
IUPAC Name n-[(1r)-1-[[(1s,2s)-1-benzyl-4-[[(1r)-2-[[(1s)-1-carbamoyl-3-methyl-butyl]amino]-1-(chloromethyl)-2-oxo-ethyl]amino]-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]pyridine-2-carboxamide
Molecular Mass 631.163 g·mol−1
Heat of Formation -1157.3 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 769.77 Å 3
Surface Area 624.13 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey AWQGEUFVOMSATO-HOMAGXEVSA-N
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Elements H C Cl O N