(Q72502246)

English

N-[(Phenylmethoxy)carbonyl]-L-valyl-N-[3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-L-alaninamide

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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467.20677851999994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀FN₃O₇

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canonical SMILES

COC(=O)CC(N=C(O)C(C)N=C(O)C(N=C(O)OCc1ccccc1)C(C)C)C(=O)CF

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@@H](N=C(O)OCc1ccccc1)C(C)C)C(=O)CF

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H30FN3O7/c1-13(2)19(26-22(31)33-12-15-8-6-5-7-9-15)21(30)24-14(3)20(29)25-16(17(27)11-23)10-18(28)32-4/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t14-,16?,19-/m0/s1

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MIFGOLAMNLSLGH-SXUUOERCSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801407003

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