Formula |
C17H25N3O5S |
IUPAC Name |
2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]acetic acid |
Molecular Mass |
383.463 g·mol−1 |
Heat of Formation |
-852.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.02 ± 1.08 D |
Volume |
463.75 Å 3 |
Surface Area |
418.27 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
-0.09 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxybenzyl)thio]propanoyl]amino]acetic acid
- 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]acetic acid
- 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]ethanoic acid
- 2-[[(2r)-2-[(4-amino-1-oxobutyl)amino]-3-[(4-methoxyphenyl)methylthio]-1-oxopropyl]amino]acetic acid
- aby
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InChIKey |
OMOPDEZZBQHMGS-AWEZNQCLSA-N |
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Links |
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Elements |
H
C
S
O
N
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