Formula |
C26H30N4O3 |
IUPAC Name |
methyl (2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate |
Molecular Mass |
446.541 g·mol−1 |
Heat of Formation |
-131.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.58 ± 1.08 D |
Volume |
556.97 Å 3 |
Surface Area |
483.49 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-0.83 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[2-[(3r)-1-amidino-3-piperidyl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester
- (2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidinyl]-1-oxoethyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester
- (r)-n-[2-[1-(aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-l-phenylalanine methyl ester
- 2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
- frg
- methyl (2s)-2-[2-[(3r)-1-carbamimidoylpiperidin-3-yl]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate
- methyl (2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
- methyl (2s)-2-[[2-[(3r)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
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InChIKey |
MRNGXYMKYHNMLV-PKTZIBPZSA-N |
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Elements |
H
C
O
N
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