ethyl 2-[[(2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-azanyl-butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-azanyl-butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[(2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-amino-butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-amino-1-oxobutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-aminobutanoyl]amino]acetate Traditional Name: 2-[[(2S)-4-(2-acetamido-6-keto-3H-purin-9-yl)-2-amino-butanoyl]amino]acetic acid ethyl ester Formula: C15H21N7O5 MolecularWeight: 379.37114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCN1C=NC2=C1NC(=NC2=O)NC(=O)C)N

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CCN1C=NC2=C1NC(=NC2=O)NC(=O)C)N

InChI

InChI=1S/C15H21N7O5/c1-3-27-10(24)6-17-13(25)9(16)4-5-22-7-18-11-12(22)20-15(19-8(2)23)21-14(11)26/h7,9H,3-6,16H2,1-2H3,(H,17,25)(H2,19,20,21,23,26)/t9-/m0/s1