(Q76106352)

English

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoic acid

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

615.2305436659999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₈N₅O₁₁P

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canonical SMILES

CC(=O)NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(C(=O)O)C(C)C)C(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C

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Identifiers

InChI

InChI=1S/C25H38N5O11P/c1-12(2)20(24(35)28-18(11-19(26)32)23(34)30-21(13(3)4)25(36)37)29-22(33)17(27-14(5)31)10-15-6-8-16(9-7-15)41-42(38,39)40/h6-9,12-13,17-18,20-21H,10-11H2,1-5H3,(H2,26,32)(H,27,31)(H,28,35)(H,29,33)(H,30,34)(H,36,37)(H2,38,39,40)/t17-,18-,20-,21-/m0/s1

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InChIKey

ZNNJXRRFTDMWFZ-QIJZPMMNSA-N

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matched by identifier from

InChIKey

ZNNJXRRFTDMWFZ-QIJZPMMNSA-N

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

matched by identifier from

InChIKey

ZNNJXRRFTDMWFZ-QIJZPMMNSA-N

DSSTOX compound identifier

DTXCID80283293

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(Q76106352)

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoic acid

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Identifiers

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