(2S)-2-({(2S)-3-[(R)-[(1R)-1-{[(4S)-4-Amino-5-(2-Cyano-1-Pyrrolidinyl)-5-Oxopentanoyl]Amino}Ethyl](Hydroxy)Phosphoryl]-2-Benzylpropanoyl}Amino)Propanoic Acid

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Properties Simple | Detailed

Formula C25H36N5O7P
IUPAC Name (2s)-2-[[(2s)-2-[[[(1r)-1-[[(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxo-pentanoyl]amino]ethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]propanoic acid
Molecular Mass 549.556 g·mol−1
Heat of Formation -1338.2 ± 16.7 kJ·mol−1
Dipole Moment 7.48 ± 1.08 D
Volume 670.04 Å 3
Surface Area 547.86 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey BNNCRIIZOMKDCO-TYIUSFPZSA-N
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