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name Structure Reference Source Properties Activities Metabolism

(2S)-2-(dimethylamino)-N-[(3R,4S,7S)-3-isopropyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-4-methylpentanamide

AlkaPlorer ID: AK474189

Synonym: None

IUPAC Name: (2S)-2-(dimethylamino)-4-methyl-N-[(3R,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N(C)C)[C@@H](C(C)C)OC2=CC=C(/C=C\N=C1O)C=C2

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InChI: InChI=1S/C28H44N4O4/c1-17(2)15-22-26(33)29-14-13-20-9-11-21(12-10-20)36-25(19(5)6)24(28(35)30-22)31-27(34)23(32(7)8)16-18(3)4/h9-14,17-19,22-25H,15-16H2,1-8H3,(H,29,33)(H,30,35)(H,31,34)/b14-13-/t22-,23-,24-,25+/m0/s1

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InChIKey: NZSLQDJARYZBJR-GANKZJCUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Melochia corchorifolia Melochia Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 500.6840000000002

TPSA？: 110.24

MolLogP？: 5.703400000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus Mus musculus Activity -0.2 degrees C 10.1021/np800377y
Mus musculus Mus musculus Activity -0.11 degrees C 10.1021/np800377y
Mus musculus Mus musculus Activity 19.2 None 10.1021/np800377y
Mus musculus Mus musculus Activity 113.3 None 10.1021/np800377y
Mus musculus Mus musculus Activity nan None 10.1021/np800377y

Metabolism Information