(Q72498885)

English

N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]methyl]-L-valine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

1 reference

based on heuristic

inferred from InChIKey

mass

435.227039788 dalton

1 reference

1 reference

1 reference

C₂₄H₂₉N₅O₃

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canonical SMILES

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1

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InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

1 reference

0 references

1 reference

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

ChEBI ID

9927

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1

SureChEMBL ID

SCHEMBL2542

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

SCHEMBL678231

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

DSSTox substance ID

DTXSID6023735

1 reference

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

DrugBank ID

DB00177

1 reference

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

Human Metabolome Database ID

HMDB0014323

1 reference

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

UNII

80M03YXJ7I

1 reference

matched by identifier from

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

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