(Q105110941)

English

[(2R)-3-[[(2S)-1-[(2R,3S)-1-[[(2S)-5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

769.38578482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S)-3-[[(2S)-1-[(2R,3S)-1-[[(2S)-5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₅N₇O₁₃

0 references

canonical SMILES

CCCCCCCCC(OC(=O)C(CCCN(O)C=O)NC(=O)C(O)COC(=O)c1ccccc1O)C(C)C(=O)NC(CCCN(O)C(=N)N)C(=O)NO

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isomeric SMILES

CCCCCCCC[C@H](OC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](O)COC(=O)c1ccccc1O)[C@@H](C)C(=O)N[C@@H](CCCN(O)C(=N)N)C(=O)NO

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found in taxon

Nocardia asteroides

1 reference

stated in

Asterobactin, a new siderophore group antibiotic from Nocardia asteroides

Identifiers

InChI

InChI=1S/C34H55N7O13/c1-3-4-5-6-7-8-17-28(22(2)29(45)37-24(30(46)39-50)14-12-19-41(52)34(35)36)54-33(49)25(15-11-18-40(51)21-42)38-31(47)27(44)20-53-32(48)23-13-9-10-16-26(23)43/h9-10,13,16,21-22,24-25,27-28,43-44,50-52H,3-8,11-12,14-15,17-20H2,1-2H3,(H3,35,36)(H,37,45)(H,38,47)(H,39,46)/t22-,24+,25+,27-,28+/m1/s1

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InChIKey

ICFNGWYSCWYFGU-GMVPBFASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ICFNGWYSCWYFGU-GMVPBFASSA-N

(Q105110941)

[(2R)-3-[[(2S)-1-[(2R,3S)-1-[[(2S)-5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate

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Identifiers

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