Formula |
C21H33N4O6PS |
IUPAC Name |
ethyl (2s)-2-[[[5-(2-amino-5-isobutyl-thiazol-4-yl)-2-furyl]-[[(1s)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]phosphoryl]amino]propanoate |
Molecular Mass |
500.549 g·mol−1 |
Heat of Formation |
-1109.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.26 ± 1.08 D |
Volume |
601.55 Å 3 |
Surface Area |
485.21 Å 2 |
HOMO Energy |
-8.43 ± 0.55 eV |
LUMO Energy |
2.15 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[[5-(2-amino-5-isobutyl-4-thiazolyl)-2-furyl]-[[(1s)-2-ethoxy-1-methyl-2-oxoethyl]amino]phosphoryl]amino]propanoic acid ethyl ester
- (2s)-2-[[[5-(2-amino-5-isobutyl-thiazol-4-yl)-2-furyl]-[[(1s)-2-ethoxy-2-keto-1-methyl-ethyl]amino]phosphoryl]amino]propionic acid ethyl ester
- ethyl (2s)-2-[[[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]-[[(2s)-1-ethoxy-1-oxo-propan-2-yl]amino]phosphoryl]amino]propanoate
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InChIKey |
BYKBUQDQTLDNLE-KBPBESRZSA-N |
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Elements |
C
H
O
N
P
S
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