UNPD140800

AlkaPlorer ID: AK500201

Synonym: None

IUPAC Name: [2-[[1-(3-acetyloxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene)-2-[(1-hydroxy-3-oxobut-1-en-2-yl)amino]-2-oxoethyl]amino]-1-(2-methyloxiran-2-yl)-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate

Structure

SMILES: COC1=CC2=C(C)C=CC=C2C(C(=O)OC(C(O)=NC(C(O)=NC(=CO)C(C)=O)=C2C(OC(C)=O)C(O)C3CN23)C2(C)CO2)=C1

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InChI: InChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)

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InChIKey: QIKVYJOCQXXRSJ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 623.6150000000001

TPSA: 200.08

MolLogP: 2.5745200000000006

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information