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(Q72498885)
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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
chemical compound
0 references
mass
435.227039788
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
valsartan
1 reference
based on heuristic
inferred from InChI
D-valsartan
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₉N₅O₃
0 references
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
0 references
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
137863-60-6
0 references
PubChem CID
60846
1 reference
matched by identifier from
InChIKey
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
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
SCHEMBL678231
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
DSSTox substance ID
DTXSID6023735
1 reference
matched by identifier from
InChIKey
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
DrugBank ID
DB00177
1 reference
matched by identifier from
InChIKey
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
Human Metabolome Database ID
HMDB0014323
1 reference
matched by identifier from
InChIKey
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
UNII
80M03YXJ7I
1 reference
matched by identifier from
InChIKey
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
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