(2E)-5-hydroxy-N-{3-[(2S,5R)-5-[3-(5-hydroxy-3-methylpent-2-enamido)propyl]-3,6-dioxopiperazin-2-yl]propyl}-3-methylpent-2-enamide

AlkaPlorer ID: AK356666

Synonym: None

IUPAC Name: 5-hydroxy-N-[3-[5-[3-[(5-hydroxy-3-methylpent-2-enoyl)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide

Structure

SMILES: CC(=CC(O)=NCCCC1N=C(O)C(CCCN=C(O)C=C(C)CCO)N=C1O)CCO

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InChI: InChI=1S/C22H36N4O6/c1-15(7-11-27)13-19(29)23-9-3-5-17-21(31)26-18(22(32)25-17)6-4-10-24-20(30)14-16(2)8-12-28/h13-14,17-18,27-28H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,25,32)(H,26,31)

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InChIKey: CNQCBOHTKBVCFM-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 452.5520000000003

TPSA: 170.82

MolLogP: 2.781000000000001

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information