ethyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[(2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-[6-(phenylmethoxycarbonylamino)-9-purinyl]butyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoyl]amino]acetic acid ethyl ester Formula: C26H33N7O7 MolecularWeight: 555.58292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N7O7/c1-5-38-19(34)13-27-23(35)18(31-25(37)40-26(2,3)4)11-12-33-16-30-20-21(28-15-29-22(20)33)32-24(36)39-14-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,27,35)(H,31,37)(H,28,29,32,36)/t18-/m0/s1