S-Benzyl-N-(4-Biphenylylacetyl)-L-Cysteinyl-N~5~-(Diaminomethyl)-D-Ornithyl-N-(2-Phenylethyl)Tyrosinamide

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Formula C47H55N7O5S
IUPAC Name (2r)-2-[[(2r)-3-benzylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-(diaminomethylamino)-n-[(1s)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]pentanamide
Molecular Mass 830.049 g·mol−1
Heat of Formation -509.6 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 1042.13 Å 3
Surface Area 826.54 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
InChIKey IMZNRHOMBTZKJS-IWSHAHEXSA-N
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