tert-butyl 2-[[(2S)-5-acetyloxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-diethoxyphosphoryl-ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-5-acetyloxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-diethoxyphosphoryl-ethanoate Openeye Name: tert-butyl 2-[[(2S)-5-acetoxy-2-(benzyloxycarbonylamino)-4-oxo-pentanoyl]amino]-2-diethoxyphosphoryl-acetate CAS Name: 2-[[(2S)-5-acetyloxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-diethoxyphosphorylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-5-acetyloxy-4-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-diethoxyphosphorylacetate Traditional Name: 2-[[(2S)-5-acetoxy-2-(benzyloxycarbonylamino)-4-keto-pentanoyl]amino]-2-diethoxyphosphoryl-acetic acid tert-butyl ester Formula: C25H37N2O11P MolecularWeight: 572.541841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)OC(C)(C)C)NC(=O)C(CC(=O)COC(=O)C)NC(=O)OCC1=CC=CC=C1)OCC

Isomeric SMILES

CCOP(=O)(C(C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)COC(=O)C)NC(=O)OCC1=CC=CC=C1)OCC

InChI

InChI=1S/C25H37N2O11P/c1-7-36-39(33,37-8-2)22(23(31)38-25(4,5)6)27-21(30)20(14-19(29)16-34-17(3)28)26-24(32)35-15-18-12-10-9-11-13-18/h9-13,20,22H,7-8,14-16H2,1-6H3,(H,26,32)(H,27,30)/t20-,22?/m0/s1