(2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propionate Formula: C16H13N6O2- MolecularWeight: 321.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H14N6O2/c23-16(24)12(5-9-6-17-11-4-2-1-3-10(9)11)22-15-13-14(19-7-18-13)20-8-21-15/h1-4,6-8,12,17H,5H2,(H,23,24)(H2,18,19,20,21,22)/p-1/t12-/m0/s1