Formula |
C26H23N3O3 |
IUPAC Name |
(2s)-2-[[6-(4-benzyloxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid |
Molecular Mass |
425.479 g·mol−1 |
Heat of Formation |
-102.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.40 ± 1.08 D |
Volume |
515.36 Å 3 |
Surface Area |
435.76 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
2.47 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[6-[4-(benzyloxy)phenyl]pyrimidin-4-yl]amino]-3-phenyl-propionic acid
- (2s)-3-phenyl-2-[[6-[4-(phenylmethoxy)phenyl]-4-pyrimidinyl]amino]propanoic acid
- (2s)-3-phenyl-2-[[6-[4-(phenylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid
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InChIKey |
RRYFPNITZGCUPZ-DEOSSOPVSA-N |
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Links |
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Elements |
H
C
O
N
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