(Q82989350)

English

N~2~-{14-Amino-5-benzyl-1,4,7,10,13-pentahydroxy-15-(4-hydroxyphenyl)-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-1-ylidene}lysine

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

701.320682464 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₄₇N₇O₈S

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canonical SMILES

CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

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Identifiers

InChI

InChI=1S/C33H47N7O8S/c1-49-16-14-25(31(45)40-26(33(47)48)9-5-6-15-34)39-32(46)27(18-21-7-3-2-4-8-21)38-29(43)20-36-28(42)19-37-30(44)24(35)17-22-10-12-23(41)13-11-22/h2-4,7-8,10-13,24-27,41H,5-6,9,14-20,34-35H2,1H3,(H,36,42)(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,47,48)/t24-,25-,26-,27-/m0/s1

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InChIKey

CFOVZGFKVVQYMH-FWEHEUNISA-N

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1 reference

matched by identifier from

InChIKey

CFOVZGFKVVQYMH-FWEHEUNISA-N

1 reference

1 reference

matched by identifier from

InChIKey

CFOVZGFKVVQYMH-FWEHEUNISA-N

DSSTOX compound identifier

DTXCID901424292

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(Q82989350)

N~2~-{14-Amino-5-benzyl-1,4,7,10,13-pentahydroxy-15-(4-hydroxyphenyl)-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-1-ylidene}lysine

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