N14-Deacetylcoprogen; 10'ξ-Hydroxy, N17-deacyl, N14,N17-di-Ac 

AlkaPlorer ID: AK294494

Synonym: Hydroxyisoneocoprogen I

IUPAC Name: [(E)-5-[3-[5-[3-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[acetyl(hydroxy)amino]pentanoate

Structure

SMILES: CC(=O)N(O)CCCC(N=C(C)O)C(=O)OCC/C(C)=C/C(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)/C=C(\C)C(O)CO)N=C1O

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InChI: InChI=1S/C31H50N6O13/c1-19(11-15-50-31(46)25(32-21(3)39)10-7-12-35(47)22(4)40)16-27(42)36(48)13-5-8-23-29(44)34-24(30(45)33-23)9-6-14-37(49)28(43)17-20(2)26(41)18-38/h16-17,23-26,38,41,47-49H,5-15,18H2,1-4H3,(H,32,39)(H,33,45)(H,34,44)/b19-16+,20-17+

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InChIKey: XQOVEZMAFQKFSK-VQZJLROISA-N

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Properties Information

Molecule Weight: 714.7700000000004

TPSA: 286.15000000000003

MolLogP: 1.188200000000006

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information