Eurystatin A

AlkaPlorer ID: AK030052

Synonym: 'Eurystatin A', 'Bu 4164E-A'

IUPAC Name: (E)-6-methyl-N-[(3S,7S,10R)-7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide

Structure

SMILES: CC(C)CC/C=C/C(O)=N[C@@H]1CCCN=C(O)[C@H](CC(C)C)NC(=O)C(=O)[C@H](C)N=C1O

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InChI: InChI=1S/C23H38N4O5/c1-14(2)9-6-7-11-19(28)26-17-10-8-12-24-21(30)18(13-15(3)4)27-23(32)20(29)16(5)25-22(17)31/h7,11,14-18H,6,8-10,12-13H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,32)/b11-7+/t16-,17+,18-/m0/s1

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InChIKey: LUORGXVDSLVJSV-YYFUQURLSA-N

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Properties Information

Molecule Weight: 450.58000000000015

TPSA: 143.94

MolLogP: 3.499200000000002

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information