Formula |
C10H18N4O5S |
IUPAC Name |
(2s)-5-[[(1r)-2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-azaniumyl-5-oxo-pentanoate |
Molecular Mass |
306.339 g·mol−1 |
Heat of Formation |
-887.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.33 ± 1.08 D |
Volume |
352.27 Å 3 |
Surface Area |
316.99 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
-0.40 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-5-[[(1r)-2-[(2-amino-2-keto-ethyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid
- (2s)-2-amino-5-[[(1r)-2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
- (2s)-2-amino-5-[[(1r)-2-[(2-amino-2-oxoethyl)amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxopentanoic acid
- (2s)-2-amino-5-[[(2r)-1-[(2-amino-2-oxo-ethyl)amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid
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InChIKey |
FBCIXVYKFFJYFT-WDSKDSINSA-N |
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Elements |
H
S
C
O
N
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