(2S)-4-(6-aminopurin-9-yl)-2-[[(2R)-2-azanylpropanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-(6-aminopurin-9-yl)-2-[[(2R)-2-azanylpropanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-(6-aminopurin-9-yl)butanoic acid CAS Name: (2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-(6-aminopurin-9-yl)butanoic acid IUPAC Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-(6-aminopurin-9-yl)butanoic acid Traditional Name: (2S)-4-adenin-9-yl-2-[[(2R)-2-aminopropanoyl]amino]butyric acid Formula: C12H17N7O3 MolecularWeight: 307.30848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCN1C=NC2=C1N=CN=C2N)C(=O)O)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CCN1C=NC2=C1N=CN=C2N)C(=O)O)N

InChI

InChI=1S/C12H17N7O3/c1-6(13)11(20)18-7(12(21)22)2-3-19-5-17-8-9(14)15-4-16-10(8)19/h4-7H,2-3,13H2,1H3,(H,18,20)(H,21,22)(H2,14,15,16)/t6-,7+/m1/s1