(Q27166154)

n-pentanoyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}valine (English)

9 October 2016

chemical formula

C₂₄H₂₉N₅O₃

1 reference

n-pentanoyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}valine (English)

9 October 2016

canonical SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O

1 reference

n-pentanoyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}valine (English)

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)

9 October 2016

Identifiers

InChI

1 reference

n-pentanoyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}valine (English)

9 October 2016

2 references

n-pentanoyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}valine (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (English)

9 October 2016

2 references

n-pentanoyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}valine (English)

9 October 2016

118985295

1 reference

118985386

1 reference

ChEBI ID

94331

mapping relation type

2 references

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

9 October 2016

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)

1 reference

CHEMBL1904197 (English)

9 October 2016

2 references

inferred from InChIKey

SCHEMBL8476946

2 references

based on heuristic

inferred from InChIKey

DSSTox substance ID

DTXSID30861343

1 reference

Human Metabolome Database ID

HMDB0242150

2 references

based on heuristic

inferred from InChIKey