(Q82595674)

English

N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-3-iodo-D-phenylalanine

chemical compound

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Statements

type of chemical entity

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chemical compound

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513.04370612 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-iodophenyl)propanoic acid

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based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₀INO₄

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canonical SMILES

O=C(NC(Cc1cccc(I)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC(=CC=C4)I)C(=O)O

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Identifiers

InChI=1S/C24H20INO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1

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SSKOJXLIQFVOGC-JOCHJYFZSA-N

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CAS Registry Number

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SSKOJXLIQFVOGC-JOCHJYFZSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=478183-67-4

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matched by identifier from

SSKOJXLIQFVOGC-JOCHJYFZSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

SSKOJXLIQFVOGC-JOCHJYFZSA-N

DSSTOX compound identifier

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