(Q76279693)

English

(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-ethyl-2,6-dioxo-1,3-diazinane-4-carboxamide

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

419.1917169 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (R)-, hydrate (2:3)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₅N₇O₅

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canonical SMILES

CCN1C(=O)CC(C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N

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Identifiers

InChI

InChI=1S/C18H25N7O5/c1-2-24-14(26)7-11(23-18(24)30)16(28)22-12(6-10-8-20-9-21-10)17(29)25-5-3-4-13(25)15(19)27/h8-9,11-13H,2-7H2,1H3,(H2,19,27)(H,20,21)(H,22,28)(H,23,30)/t11-,12-,13-/m0/s1

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InChIKey

RUIPHNJSXWCPPW-AVGNSLFASA-N

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1 reference

matched by identifier from

InChIKey

RUIPHNJSXWCPPW-AVGNSLFASA-N

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

RUIPHNJSXWCPPW-AVGNSLFASA-N

DSSTOX compound identifier

DTXCID6078281

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(Q76279693)

(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-ethyl-2,6-dioxo-1,3-diazinane-4-carboxamide

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