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(E)-(2R,5S,11S,14S,17R,18R)-18-Hydroxy-14-isopropyl-2,11,17-trimethyl-3,9,12,15,28-pentaaza-tricyclo[21.3.1.1*5,9*]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetraone

HCID 89945147
NotesReactions

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Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)[C@@H]1NC(=O)[C@H](C)[C@H](O)CC/C=C/c2cccc(c2)[C@@H](C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O
InChIKey
NKQNWZYMNNKTCZ-GUQDZBBDSA-N
Molecular formula
C29H43N5O5
Average molar mass
541.7 g/mol

Names & identifiers

Preferred name
(E)-(2R,5S,11S,14S,17R,18R)-18-Hydroxy-14-isopropyl-2,11,17-trimethyl-3,9,12,15,28-pentaaza-tricyclo[21.3.1.1*5,9*]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetraone
IUPAC
(2R,5S,11S,14S,17R,18R,21E)-18-hydroxy-2,11,17-trimethyl-14-propan-2-yl-3,9,12,15,28-pentazatricyclo[21.3.1.15,9]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetrone

Names & synonyms

SCHEMBL15442989NKQNWZYMNNKTCZ-GUQDZBBDSA-N(E)-(2R,5S,11S,14S,17R,18R)-18-Hydroxy-14-isopropyl-2,11,17-trimethyl-3,9,12,15,28-pentaaza-tricyclo[21.3.1.1*5,9*]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetraone

Database identifiers

PubChem CID
89945147

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
140 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
39
Formal charge
0
Complexity
908

Related reactions

1 records
New reaction record
HRID 2285341 reaction equation
HRID 2285341As reactantuspto-grants-2015_09

Compound notes

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