(phenylmethyl) (2S)-2-azanyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pentanoate Openeye Name: benzyl (2S)-2-amino-5-(2-amino-6-oxo-3H-purin-9-yl)pentanoate CAS Name: (2S)-2-amino-5-(2-amino-6-oxo-3H-purin-9-yl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-amino-5-(2-amino-6-oxo-3H-purin-9-yl)pentanoate Traditional Name: (2S)-2-amino-5-(2-amino-6-keto-3H-purin-9-yl)valeric acid benzyl ester Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCN2C=NC3=C2NC(=NC3=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCCN2C=NC3=C2NC(=NC3=O)N)N

InChI

InChI=1S/C17H20N6O3/c18-12(16(25)26-9-11-5-2-1-3-6-11)7-4-8-23-10-20-13-14(23)21-17(19)22-15(13)24/h1-3,5-6,10,12H,4,7-9,18H2,(H3,19,21,22,24)/t12-/m0/s1