Formula |
C16H23N5O7 |
IUPAC Name |
(2s)-2-[[(2r)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoic acid |
Molecular Mass |
397.383 g·mol−1 |
Heat of Formation |
-1145.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.29 ± 1.08 D |
Volume |
462.36 Å 3 |
Surface Area |
403.69 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
-0.35 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2r)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoic acid
- (2s)-2-[[(2r)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propionic acid
- (2s)-2-[[(2r)-2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-5-guanidino-1-oxopentyl]amino]-3-hydroxypropanoic acid
- (2s)-2-[[(2r)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoic acid
- (2s)-2-[[(2r)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxyphenyl)carbonylamino]pentanoyl]amino]-3-hydroxy-propanoic acid
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InChIKey |
LXNCWECCTQQXPQ-ZJUUUORDSA-N |
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Elements |
H
C
O
N
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