Formula |
C27H31N5O3 |
IUPAC Name |
1-[(1r)-1-(hydroxymethyl)-3-[6-(5-phenylpentanoylamino)-2h-indol-1-ium-2-ylium-1-yl]propyl]imidazole-4-carboxamide |
Molecular Mass |
473.567 g·mol−1 |
Heat of Formation |
-225.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.38 ± 1.08 D |
Volume |
584.02 Å 3 |
Surface Area |
518.23 Å 2 |
HOMO Energy |
-8.31 ± 0.55 eV |
LUMO Energy |
-0.18 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[(1r)-1-(hydroxymethyl)-3-[6-(5-phenylpentanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
- 1-[(1r)-1-(hydroxymethyl)-3-[6-[(1-oxo-5-phenylpentyl)amino]-1-indolyl]propyl]-4-imidazolecarboxamide
- 1-[(1r)-1-methylol-3-[6-(5-phenylpentanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
- 1-[(2r)-1-hydroxy-4-[6-(5-phenylpentanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
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InChIKey |
SLLHIZOLSGWMLR-HSZRJFAPSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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