Formula |
C14H23N3O6S |
IUPAC Name |
(2s)-2-amino-6-[[(1r)-2-[[(r)-carboxy(cyclopropyl)methyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid |
Molecular Mass |
361.414 g·mol−1 |
Heat of Formation |
-1103.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.08 ± 1.08 D |
Volume |
428.05 Å 3 |
Surface Area |
384.92 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-cyclopropyl-2-hydroxy-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid
- (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
- (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
- (2s)-2-amino-6-[[(2r)-1-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxo-ethyl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
- (2s)-2-amino-6-[[(2r)-1-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
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InChIKey |
QDTDEZBVMFHOLY-ATZCPNFKSA-N |
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Elements |
H
C
S
O
N
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