Formula |
C27H30N4O5S |
IUPAC Name |
methyl 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate |
Molecular Mass |
522.616 g·mol−1 |
Heat of Formation |
-633.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.73 ± 1.08 D |
Volume |
605.18 Å 3 |
Surface Area |
435.73 Å 2 |
HOMO Energy |
-9.25 ± 0.55 eV |
LUMO Energy |
1.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[(2s)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid methyl ester
- 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester
- fd2
- methyl 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate
- methyl 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate
- n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
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InChIKey |
JJLGQWCKMHPBEB-DEOSSOPVSA-N |
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Links |
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Elements |
H
C
S
O
N
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