(Q82773095)

English

L-Tyrosyl-3-[3-(4-aminobutoxy)-2-(naphthalene-1-carbonyl)-3H-indol-3-yl]-L-alaninamide

group of stereoisomers with the chemical formula C₃₅H₃₇N₅O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

607.2794692840001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₃₇N₅O₅

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based on heuristic

inferred from SMILES

canonical SMILES

N=C(O)C(CC1(OCCCCN)C(C(=O)c2cccc3ccccc23)=Nc2ccccc21)N=C(O)C(N)Cc1ccc(O)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NCCCCOC1(C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C(C(=O)c2cccc3ccccc23)=Nc2ccccc21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C35H37N5O5/c36-18-5-6-19-45-35(21-30(33(38)43)40-34(44)28(37)20-22-14-16-24(41)17-15-22)27-12-3-4-13-29(27)39-32(35)31(42)26-11-7-9-23-8-1-2-10-25(23)26/h1-4,7-17,28,30,41H,5-6,18-21,36-37H2,(H2,38,43)(H,40,44)/t28-,30-,35?/m0/s1

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InChIKey

ZOLVRLUEVVNTJQ-HKRAWCJGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID50751151

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(Q82773095)

L-Tyrosyl-3-[3-(4-aminobutoxy)-2-(naphthalene-1-carbonyl)-3H-indol-3-yl]-L-alaninamide

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