(2S)-2-Amino-N-[(1S)-1-Benzyl-2-[[(1S)-1-[(1S)-2-Chloro-1-Hydroxy-Ethyl]-4-Guanidino-Butyl]Amino]-2-Oxo-Ethyl]-3-Phenyl-Propanamide

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Properties Simple | Detailed

Formula C25H35ClN6O3
IUPAC Name (2s)-2-amino-n-[(1s)-1-benzyl-2-[[(1s)-1-[(1s)-2-chloro-1-hydroxy-ethyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]-3-phenyl-propanamide
Molecular Mass 503.037 g·mol−1
Heat of Formation -435.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 625.76 Å 3
Surface Area 524.24 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
InChIKey ZKHBINZTIMXMQW-MYGLTJDJSA-N
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Elements H C Cl O N