(2S)-2-azanyl-N-[(2S,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(2S,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(2S,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(2S,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-3-phenyl-propionamide Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)CO)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C18H23N5O4/c19-12(8-11-4-2-1-3-5-11)17(25)21-13-9-16(27-14(13)10-24)23-7-6-15(20)22-18(23)26/h1-7,12-14,16,24H,8-10,19H2,(H,21,25)(H2,20,22,26)/t12-,13-,14+,16+/m0/s1