Formula |
C24H34N4O3 |
IUPAC Name |
(2r)-2-(4-carbamimidoylanilino)-2-[3-[3-(dimethylamino)-2,2-dimethyl-propoxy]-5-ethyl-phenyl]acetic acid |
Molecular Mass |
426.552 g·mol−1 |
Heat of Formation |
-393.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.59 ± 1.08 D |
Volume |
551.55 Å 3 |
Surface Area |
476.88 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-0.13 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-[(4-amidinophenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethyl-propoxy)-5-ethyl-phenyl]acetic acid
- (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethyl-propoxy)-5-ethyl-phenyl]acetic acid
- (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethyl-propoxy)-5-ethyl-phenyl]ethanoic acid
- (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethylpropoxy)-5-ethylphenyl]acetic acid
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InChIKey |
VVVFEPKRHINSIE-OAQYLSRUSA-N |
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Links |
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DOI |
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Elements |
H
C
O
N
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