ethyl 2-[[(2S)-2-azanyl-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-2-azanyl-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[(2S)-2-amino-4-[4-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-amino-1-oxo-4-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]butyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-amino-4-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-amino-4-[4-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]butanoyl]amino]acetic acid ethyl ester Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCN1C=CC(=NC1=O)NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CCN1C=CC(=NC1=O)NC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C20H25N5O6/c1-2-30-17(26)12-22-18(27)15(21)8-10-25-11-9-16(23-19(25)28)24-20(29)31-13-14-6-4-3-5-7-14/h3-7,9,11,15H,2,8,10,12-13,21H2,1H3,(H,22,27)(H,23,24,28,29)/t15-/m0/s1