valeryl-4-hydroxyvalsartan (Q27284701)

SCHEMBL3473667 (English)

14 October 2016

chemical formula

C₂₄H₂₉N₅O₄

1 reference

SCHEMBL3473667 (English)

14 October 2016

canonical SMILES

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

1 reference

SCHEMBL3473667 (English)

14 October 2016

isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CCC(C)O

1 reference

SCHEMBL3473667 (English)

InChI=1S/C24H29N5O4/c1-15(2)22(24(32)33)29(21(31)13-8-16(3)30)14-17-9-11-18(12-10-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-7,9-12,15-16,22,30H,8,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)/t16?,22-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

SCHEMBL3473667 (English)

14 October 2016

1 reference

Global Substance Registration System

SCHEMBL3473667 (English)

14 October 2016

1 reference

UNII

N891C54AXX

valeryl-4-hydroxyvalsartan (English)

14 October 2016

1 reference

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

14 October 2016

2 references

SCHEMBL3473667 (English)

14 October 2016

ChEBI ID

165851

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C24H29N5O4/c1-15(2)22(24(32)33)29(21(31)13-8-16(3)30)14-17-9-11-18(12-10-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-7,9-12,15-16,22,30H,8,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)/t16?,22-/m0/s1

1 reference

Human Metabolome Database ID

HMDB0013848

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

N891C54AXX

2 references

stated in

UNII

N891C54AXX

valeryl-4-hydroxyvalsartan (English)

14 October 2016