N-(Bromoacetyl)-β-Alanyl-N-(2-{4-[(Carboxycarbonyl)Amino]Phenyl}Ethyl)Serinamide

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Properties Simple | Detailed

Formula C18H23BrN4O7
IUPAC Name 2-[4-[2-[[(2r)-2-[3-[(2-bromoacetyl)amino]propanoylamino]-3-hydroxy-propanoyl]amino]ethyl]anilino]-2-oxo-acetic acid
Molecular Mass 487.302 g·mol−1
Heat of Formation -1232.7 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 515.73 Å 3
Surface Area 407.21 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey IYAWTDCWUJJPHZ-ZDUSSCGKSA-N
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Elements H C Br O N