N14-Deacetylcoprogen; N14-Ac
AlkaPlorer ID: AK294479
Synonym: Coprogen
IUPAC Name: [(E)-5-[hydroxy-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate
Structure
SMILES: CC(=O)NC(CCCN(O)C(=O)/C=C(\C)CCO)C(=O)OCC/C(C)=C/C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC1=O
InChI: InChI=1S/C35H56N6O13/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43/h20-22,27-29,42-43,51-53H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48)/b23-20+,24-21+,25-22+
InChIKey: AKLLFACZGZTMGS-CLFOWMDLSA-N
Source
Properties Information
Molecule Weight: 768.862
TPSA？: 275.68
MolLogP？: 0.0053000000000088
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 1
Activities Information
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