Radiosumin

AlkaPlorer ID: AK079785

Synonym: None

IUPAC Name: (2S)-2-[[(2S,3E)-2-acetamido-3-[(4R)-4-aminocyclohex-2-en-1-ylidene]propanoyl]amino]-3-(4-acetamidocyclohexylidene)propanoic acid

Structure

SMILES: CC(O)=NC1CCC(=C[C@H](N=C(O)[C@H](/C=C2/C=C[C@H](N)CC2)N=C(C)O)C(=O)O)CC1

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InChI: InChI=1S/C22H32N4O5/c1-13(27)24-18-9-5-16(6-10-18)12-20(22(30)31)26-21(29)19(25-14(2)28)11-15-3-7-17(23)8-4-15/h3,7,11-12,17-20H,4-6,8-10,23H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)/b15-11-,16-12?/t17-,18?,19-,20-/m0/s1

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InChIKey: BZYYTAOQKTUZST-NRZWWCDRSA-N

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Source

Properties Information

Molecule Weight: 432.5210000000003

TPSA: 161.09

MolLogP: 3.1902

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information