(Q82900877)

English

5-{[2-({1-[(1-Carboxy-3-hydroxy-3-iminopropyl)imino]-1,3-dihydroxypropan-2-yl}imino)-2-hydroxyethyl]imino}-5-hydroxy-4-{[hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino}pentanoic acid

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

516.1816057159999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₈N₆O₁₁

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canonical SMILES

NC(=O)CC(NC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)N1)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O

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Identifiers

InChI

InChI=1S/C19H28N6O11/c20-12(27)5-10(19(35)36)25-18(34)11(7-26)23-14(29)6-21-16(32)8(2-4-15(30)31)24-17(33)9-1-3-13(28)22-9/h8-11,26H,1-7H2,(H2,20,27)(H,21,32)(H,22,28)(H,23,29)(H,24,33)(H,25,34)(H,30,31)(H,35,36)/t8-,9-,10-,11-/m0/s1

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InChIKey

LZAPZYPGMQKGDR-NAKRPEOUSA-N

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matched by identifier from

InChIKey

LZAPZYPGMQKGDR-NAKRPEOUSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LZAPZYPGMQKGDR-NAKRPEOUSA-N

DSSTOX compound identifier

DTXCID501355180

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(Q82900877)

5-{[2-({1-[(1-Carboxy-3-hydroxy-3-iminopropyl)imino]-1,3-dihydroxypropan-2-yl}imino)-2-hydroxyethyl]imino}-5-hydroxy-4-{[hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino}pentanoic acid

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