1-[(3S,5S,9S,10S)-10-(1-methylpyrrole-2-amido)-2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodecan-5-yl]-1,2,3-triazole-4,5-dicarboxamide
AlkaPlorer ID: AK439688
Synonym: None
IUPAC Name: 1-[10-[(1-methylpyrrole-2-carbonyl)amino]-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]triazole-4,5-dicarboxamide
Structure
SMILES: CN1C=CC=C1C(=O)NC1CCN2C(=O)C3CC(N4N=NC(C(N)=O)=C4C(N)=O)CN3C(=O)C12
InChI: InChI=1S/C20H23N9O5/c1-26-5-2-3-11(26)18(32)23-10-4-6-27-14(10)20(34)28-8-9(7-12(28)19(27)33)29-15(17(22)31)13(16(21)30)24-25-29/h2-3,5,9-10,12,14H,4,6-8H2,1H3,(H2,21,30)(H2,22,31)(H,23,32)
InChIKey: KXNPANOQAFNFIC-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 469.4620000000003
TPSA？: 191.54
MolLogP？: -2.630499999999996
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
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