(Q82960180)

English

14-Amino-5-benzyl-4,7,10,13-tetrahydroxy-15-(4-hydroxyphenyl)-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-1-imidic acid

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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572.241703872 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆N₆O₆S

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canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CSCC[C@@H](C(=O)N)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=1S/C27H36N6O6S/c1-40-12-11-21(25(29)37)33-27(39)22(14-17-5-3-2-4-6-17)32-24(36)16-30-23(35)15-31-26(38)20(28)13-18-7-9-19(34)10-8-18/h2-10,20-22,34H,11-16,28H2,1H3,(H2,29,37)(H,30,35)(H,31,38)(H,32,36)(H,33,39)/t20-,21-,22-/m0/s1

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HBDDEVHKKBWEQT-FKBYEOEOSA-N

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CAS Registry Number

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1 reference

matched by identifier from

HBDDEVHKKBWEQT-FKBYEOEOSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

HBDDEVHKKBWEQT-FKBYEOEOSA-N

DSSTOX compound identifier

DTXCID801402946

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Probes And Drugs ID

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