(2S,3S,4S,5S)-3-[(2S)-2-amino-3-(4-methoxyphenyl)propanamido]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
AlkaPlorer ID: AK043434
Synonym: None
IUPAC Name: (2S,3S,4S,5S)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
Structure
SMILES: COC1=CC=C(C[C@H](N)C(=O)N[C@H]2[C@H](O)[C@@H](N3C=NC4=C(N)N=CN=C43)O[C@@H]2C(=O)O)C=C1
InChI: InChI=1S/C20H23N7O6/c1-32-10-4-2-9(3-5-10)6-11(21)18(29)26-12-14(28)19(33-15(12)20(30)31)27-8-25-13-16(22)23-7-24-17(13)27/h2-5,7-8,11-12,14-15,19,28H,6,21H2,1H3,(H,26,29)(H,30,31)(H2,22,23,24)/t11-,12-,14-,15-,19-/m0/s1
InChIKey: TXYMIIPGRTXESZ-OTHWHPDBSA-N
Source
Properties Information
Molecule Weight: 457.4470000000002
TPSA？: 200.73
MolLogP？: -1.1851999999999965
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 4
Activities Information
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