(Q82230246)

English

NSC145664

group of stereoisomers with the chemical formula C₅₀H₇₂N₄O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

920.514673744 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₀H₇₂N₄O₁₂

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCN1CCN(NC=C2C(=O)c3c4c(O)c(C)c5c3C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(\C)C(=O)NC2=C4O)O5)CC1

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CCCCCCCCN1CCN(NC=C2C(=O)c3c4c(O)c(C)c5c3C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(\C)C(=O)NC2=C4O)O5)CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C50H72N4O12/c1-11-12-13-14-15-16-21-53-22-24-54(25-23-53)51-27-35-40-45(60)38-37(44(35)59)39-47(33(7)43(38)58)66-50(9,48(39)61)64-26-20-36(63-10)30(4)46(65-34(8)55)32(6)42(57)31(5)41(56)28(2)18-17-19-29(3)49(62)52-40/h17-20,26-28,30-32,36,41-42,46,51,56-58,60H,11-16,21-25H2,1-10H3,(H,52,62)/b18-17+,26-20+,29-19+,35-27?

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InChIKey

XWUXEIAGWNOUOU-DHCYLURQSA-N

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DSSTOX compound identifier

DTXCID60370135

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NSC number

145664

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(Q82230246)

NSC145664

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