(Q82893869)

English

N-{1-[(2-{[1-(Dimethylamino)-3-phenylpropan-2-yl](ethyl)amino}-1-hydroxyethylidene)amino]-1-oxopropan-2-yl}-3-(4-hydroxyphenyl)-2-(methylamino)propanimidic acid

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

511.31585479200004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₁N₅O₄

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based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC(O)=NC(=O)C(C)N=C(O)C(Cc1ccc(O)cc1)NC)C(Cc1ccccc1)CN(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCN(CC(=O)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC)C(Cc1ccccc1)CN(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H41N5O4/c1-6-33(23(18-32(4)5)16-21-10-8-7-9-11-21)19-26(35)31-27(36)20(2)30-28(37)25(29-3)17-22-12-14-24(34)15-13-22/h7-15,20,23,25,29,34H,6,16-19H2,1-5H3,(H,30,37)(H,31,35,36)/t20-,23?,25+/m1/s1

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InChIKey

WHZYQRAPEWZQPF-PCXNKIBISA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID301350015

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(Q82893869)

N-{1-[(2-{[1-(Dimethylamino)-3-phenylpropan-2-yl](ethyl)amino}-1-hydroxyethylidene)amino]-1-oxopropan-2-yl}-3-(4-hydroxyphenyl)-2-(methylamino)propanimidic acid

Statements

Identifiers

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