agrobactin
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agrobactin
structure -
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CAS No:
70393-50-9
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Formula:
C32H36N4O10
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Chemical Name:
agrobactin
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Synonyms:
agrobactin;ferriagrobactin;N-(3-(2,3-dihydroxybenzamido)propyl)-N-(4-(2,3- dihydroxybenzamido)butyl)-2-(2,3-dihydroxyphenyl)- trans-5-methyl-oxazoline-4-carboxamide;(2Z,4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide;4-Oxazolecarboxamide, N-(4-((2,3-dihydroxybenzoyl)amino)butyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-, (4S-trans)-
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CAS No:
Computed Properties
Molecular Weight:636.6
XLogP3:3.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:636.24314336
Monoisotopic Mass:636.24314336
Topological Polar Surface Area:222
Heavy Atom Count:46
Complexity:1060
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes