N-[(3R,8S,9aS)-3-isopropyl-1,4-dioxo-hexahydro-2H-pyrido[1,2-a]piperazin-8-yl]-1-methylpyrrole-2-carboxamide
AlkaPlorer ID: AK258660
Synonym: None
IUPAC Name: N-[(3S,8S,9aS)-1,4-dioxo-3-propan-2-yl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-1-methylpyrrole-2-carboxamide
Structure
SMILES: CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](NC(=O)C3=CC=CN3C)CCN2C1=O
InChI: InChI=1S/C17H24N4O3/c1-10(2)14-17(24)21-8-6-11(9-13(21)16(23)19-14)18-15(22)12-5-4-7-20(12)3/h4-5,7,10-11,13-14H,6,8-9H2,1-3H3,(H,18,22)(H,19,23)/t11-,13-,14-/m0/s1
InChIKey: WVOWXRTZAQMYIU-UBHSHLNASA-N
Reference
A comprehensive genome‐scale reconstruction of <i>Escherichia coli</i> metabolism—2011
PubChem CID: 162953382
Source
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Properties Information
Molecule Weight: 332.40400000000017
TPSA？: 83.44
MolLogP？: 0.2689000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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