N~2~-{[(1R)-1-(4-Bromophenyl)Ethyl]Carbamoyl}-L-Asparaginyl-N-[(1S,2S)-5-[(Diaminomethylene)Amino]-1-(2,3-Dihydro-1,3-Thiazol-2-Yl)-1-Hydroxy-2-Pentanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C27H42BrN9O5S
IUPAC Name (2s)-2-[[(1r)-1-(4-bromophenyl)ethyl]carbamoylamino]-n-[(1s)-1-[[(1s)-1-[(s)-[(2s)-2,3-dihydrothiazol-2-yl]-hydroxy-methyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]butanediamide
Molecular Mass 684.649 g·mol−1
Heat of Formation -822.1 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 788.56 Å 3
Surface Area 636.38 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey JOESWSPHHQIQBV-JJYDKGGZSA-N
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Elements C H O N S Br