155210-56-3

AlkaPlorer ID: AK057345

Synonym: None

IUPAC Name: methyl 2-[[(4R)-2-amino-4-[3-[(4,5-dibromo-1-methylpyrrole-2-carbonyl)amino]propyl]-5-oxo-1H-imidazol-4-yl]amino]ethanesulfonate

Structure

SMILES: COS(=O)(=O)CCN[C@]1(CCCNC(=O)C2=CC(Br)=C(Br)N2C)NC(=N)N=C1O

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InChI: InChI=1S/C15H22Br2N6O5S/c1-23-10(8-9(16)11(23)17)12(24)19-5-3-4-15(13(25)21-14(18)22-15)20-6-7-29(26,27)28-2/h8,20H,3-7H2,1-2H3,(H,19,24)(H3,18,21,22,25)/t15-/m1/s1

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InChIKey: QPJLBSMMWGBEJM-OAHLLOKOSA-N

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Properties Information

Molecule Weight: 558.253

TPSA: 157.9

MolLogP: 0.8166700000000009

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information