Penilumamide
AlkaPlorer ID: AK017394
Synonym: 'Penilumamide'
IUPAC Name: methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-[(R)-methylsulfinyl]butanoyl]amino]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1NC(=O)[C@H](CC[S@@](C)=O)NC(=O)C1=CN=C2C(=N1)C(=O)N(C)C(=O)N2C
InChI: InChI=1S/C22H24N6O7S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-36(4)34)18(29)25-13-8-6-5-7-12(13)21(32)35-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-,36+/m0/s1
InChIKey: HBYOXRNNWKRVRJ-YWWPZPJLSA-N
Source
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Properties Information
Molecule Weight: 516.5360000000003
TPSA？: 171.35
MolLogP？: -0.6804999999999988
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 3
Activities Information
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